# generated using pymatgen
data_Ba38Na58Li26H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.38246809
_cell_length_b   19.38246809
_cell_length_c   19.38246809
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba38Na58Li26H
_chemical_formula_sum   'Ba38 Na58 Li26 H1'
_cell_volume   5148.87365255
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ba  Ba0  1  0.00000000  -0.00000000  0.00000000  1
  Ba  Ba1  1  0.84379801  0.84379801  0.84379801  1
  Ba  Ba2  1  0.84379801  0.84379801  0.46860598  1
  Ba  Ba3  1  0.84379801  0.46860598  0.84379801  1
  Ba  Ba4  1  0.46860598  0.84379801  0.84379801  1
  Ba  Ba5  1  0.75000000  0.75000000  0.75000000  1
  Ba  Ba6  1  0.45791420  0.22572722  0.85844439  1
  Ba  Ba7  1  0.45791420  0.85844439  0.45791420  1
  Ba  Ba8  1  0.45791420  0.45791420  0.22572722  1
  Ba  Ba9  1  0.45791420  0.22572722  0.45791420  1
  Ba  Ba10  1  0.45791420  0.85844439  0.22572722  1
  Ba  Ba11  1  0.45791420  0.45791420  0.85844439  1
  Ba  Ba12  1  0.22572722  0.45791420  0.45791420  1
  Ba  Ba13  1  0.85844439  0.45791420  0.22572722  1
  Ba  Ba14  1  0.22572722  0.45791420  0.85844439  1
  Ba  Ba15  1  0.85844439  0.45791420  0.45791420  1
  Ba  Ba16  1  0.22572722  0.85844439  0.45791420  1
  Ba  Ba17  1  0.85844439  0.22572722  0.45791420  1
  Ba  Ba18  1  0.22191304  0.59269565  0.59269565  1
  Ba  Ba19  1  0.59269565  0.22191304  0.59269565  1
  Ba  Ba20  1  0.59269565  0.59269565  0.22191304  1
  Ba  Ba21  1  0.59269565  0.59269565  0.59269565  1
  Ba  Ba22  1  0.00309007  0.00309007  0.62071089  1
  Ba  Ba23  1  0.00309007  0.62071089  0.37310897  1
  Ba  Ba24  1  0.00309007  0.37310897  0.00309007  1
  Ba  Ba25  1  0.00309007  0.00309007  0.37310897  1
  Ba  Ba26  1  0.00309007  0.62071089  0.00309007  1
  Ba  Ba27  1  0.00309007  0.37310897  0.62071089  1
  Ba  Ba28  1  0.62071089  0.00309007  0.00309007  1
  Ba  Ba29  1  0.37310897  0.00309007  0.62071089  1
  Ba  Ba30  1  0.62071089  0.00309007  0.37310897  1
  Ba  Ba31  1  0.37310897  0.00309007  0.00309007  1
  Ba  Ba32  1  0.62071089  0.37310897  0.00309007  1
  Ba  Ba33  1  0.37310897  0.62071089  0.00309007  1
  Ba  Ba34  1  0.09471068  0.09471068  0.71586796  1
  Ba  Ba35  1  0.09471068  0.71586796  0.09471068  1
  Ba  Ba36  1  0.09471068  0.09471068  0.09471068  1
  Ba  Ba37  1  0.71586796  0.09471068  0.09471068  1
  Na  Na38  1  0.86049310  0.86049310  0.04435209  1
  Na  Na39  1  0.86049310  0.04435209  0.23466170  1
  Na  Na40  1  0.86049310  0.23466170  0.86049310  1
  Na  Na41  1  0.86049310  0.86049310  0.23466170  1
  Na  Na42  1  0.86049310  0.04435209  0.86049310  1
  Na  Na43  1  0.86049310  0.23466170  0.04435209  1
  Na  Na44  1  0.04435209  0.86049310  0.86049310  1
  Na  Na45  1  0.23466170  0.86049310  0.04435209  1
  Na  Na46  1  0.04435209  0.86049310  0.23466170  1
  Na  Na47  1  0.23466170  0.86049310  0.86049310  1
  Na  Na48  1  0.04435209  0.23466170  0.86049310  1
  Na  Na49  1  0.23466170  0.04435209  0.86049310  1
  Na  Na50  1  0.60591915  0.98663160  0.80153010  1
  Na  Na51  1  0.60591915  0.80153010  0.60591915  1
  Na  Na52  1  0.60591915  0.60591915  0.98663160  1
  Na  Na53  1  0.60591915  0.98663160  0.60591915  1
  Na  Na54  1  0.60591915  0.80153010  0.98663160  1
  Na  Na55  1  0.60591915  0.60591915  0.80153010  1
  Na  Na56  1  0.98663160  0.60591915  0.60591915  1
  Na  Na57  1  0.80153010  0.60591915  0.98663160  1
  Na  Na58  1  0.98663160  0.60591915  0.80153010  1
  Na  Na59  1  0.80153010  0.60591915  0.60591915  1
  Na  Na60  1  0.98663160  0.80153010  0.60591915  1
  Na  Na61  1  0.80153010  0.98663160  0.60591915  1
  Na  Na62  1  0.41816931  0.10764679  0.73709195  1
  Na  Na63  1  0.41816931  0.73709195  0.73709195  1
  Na  Na64  1  0.41816931  0.73709195  0.10764679  1
  Na  Na65  1  0.10764679  0.41816931  0.73709195  1
  Na  Na66  1  0.73709195  0.41816931  0.10764679  1
  Na  Na67  1  0.73709195  0.41816931  0.73709195  1
  Na  Na68  1  0.73709195  0.73709195  0.41816931  1
  Na  Na69  1  0.73709195  0.10764679  0.41816931  1
  Na  Na70  1  0.10764679  0.73709195  0.41816931  1
  Na  Na71  1  0.73709195  0.73709195  0.10764679  1
  Na  Na72  1  0.10764679  0.73709195  0.73709195  1
  Na  Na73  1  0.73709195  0.10764679  0.73709195  1
  Na  Na74  1  0.45005632  0.45005632  0.64983104  1
  Na  Na75  1  0.45005632  0.64983104  0.45005632  1
  Na  Na76  1  0.45005632  0.45005632  0.45005632  1
  Na  Na77  1  0.64983104  0.45005632  0.45005632  1
  Na  Na78  1  0.65867917  0.34132083  0.65867917  1
  Na  Na79  1  0.65867917  0.65867917  0.34132083  1
  Na  Na80  1  0.65867917  0.34132083  0.34132083  1
  Na  Na81  1  0.34132083  0.65867917  0.34132083  1
  Na  Na82  1  0.34132083  0.65867917  0.65867917  1
  Na  Na83  1  0.34132083  0.34132083  0.65867917  1
  Na  Na84  1  0.66845124  0.86666747  0.23244065  1
  Na  Na85  1  0.66845124  0.23244065  0.23244065  1
  Na  Na86  1  0.66845124  0.23244065  0.86666747  1
  Na  Na87  1  0.86666747  0.66845124  0.23244065  1
  Na  Na88  1  0.23244065  0.66845124  0.86666747  1
  Na  Na89  1  0.23244065  0.66845124  0.23244065  1
  Na  Na90  1  0.23244065  0.23244065  0.66845124  1
  Na  Na91  1  0.23244065  0.86666747  0.66845124  1
  Na  Na92  1  0.86666747  0.23244065  0.66845124  1
  Na  Na93  1  0.23244065  0.23244065  0.86666747  1
  Na  Na94  1  0.86666747  0.23244065  0.23244065  1
  Na  Na95  1  0.23244065  0.86666747  0.23244065  1
  Li  Li96  1  0.11283424  0.11283424  0.38716576  1
  Li  Li97  1  0.11283424  0.38716576  0.38716576  1
  Li  Li98  1  0.11283424  0.38716576  0.11283424  1
  Li  Li99  1  0.38716576  0.11283424  0.11283424  1
  Li  Li100  1  0.38716576  0.11283424  0.38716576  1
  Li  Li101  1  0.38716576  0.38716576  0.11283424  1
  Li  Li102  1  0.50320776  0.04187912  0.22745656  1
  Li  Li103  1  0.50320776  0.22745656  0.22745656  1
  Li  Li104  1  0.50320776  0.22745656  0.04187912  1
  Li  Li105  1  0.04187912  0.50320776  0.22745656  1
  Li  Li106  1  0.22745656  0.50320776  0.04187912  1
  Li  Li107  1  0.22745656  0.50320776  0.22745656  1
  Li  Li108  1  0.22745656  0.22745656  0.50320776  1
  Li  Li109  1  0.22745656  0.04187912  0.50320776  1
  Li  Li110  1  0.04187912  0.22745656  0.50320776  1
  Li  Li111  1  0.22745656  0.22745656  0.04187912  1
  Li  Li112  1  0.04187912  0.22745656  0.22745656  1
  Li  Li113  1  0.22745656  0.04187912  0.22745656  1
  Li  Li114  1  0.31845952  0.31845952  0.04462143  1
  Li  Li115  1  0.31845952  0.04462143  0.31845952  1
  Li  Li116  1  0.31845952  0.31845952  0.31845952  1
  Li  Li117  1  0.04462143  0.31845952  0.31845952  1
  Li  Li118  1  0.36727056  0.21090981  0.21090981  1
  Li  Li119  1  0.21090981  0.36727056  0.21090981  1
  Li  Li120  1  0.21090981  0.21090981  0.36727056  1
  Li  Li121  1  0.21090981  0.21090981  0.21090981  1
  H  H122  1  0.25000000  0.25000000  0.25000000  1
