# generated using pymatgen
data_Ba5LiGaN3F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79322400
_cell_length_b   12.35912900
_cell_length_c   15.59964100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba5LiGaN3F5
_chemical_formula_sum   'Ba20 Li4 Ga4 N12 F20'
_cell_volume   1116.92185866
_cell_formula_units_Z   4
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  0.25000000  0.81694200  0.93528000  1
  Ba  Ba1  1  0.25000000  0.68305800  0.43528000  1
  Ba  Ba2  1  0.75000000  0.18305800  0.06472000  1
  Ba  Ba3  1  0.75000000  0.31694200  0.56472000  1
  Ba  Ba4  1  0.75000000  0.62062600  0.01115200  1
  Ba  Ba5  1  0.75000000  0.87937400  0.51115200  1
  Ba  Ba6  1  0.25000000  0.37937400  0.98884800  1
  Ba  Ba7  1  0.25000000  0.12062600  0.48884800  1
  Ba  Ba8  1  0.75000000  0.03063000  0.84292700  1
  Ba  Ba9  1  0.75000000  0.46937000  0.34292700  1
  Ba  Ba10  1  0.25000000  0.96937000  0.15707300  1
  Ba  Ba11  1  0.25000000  0.53063000  0.65707300  1
  Ba  Ba12  1  0.75000000  0.72150900  0.74467700  1
  Ba  Ba13  1  0.75000000  0.77849100  0.24467700  1
  Ba  Ba14  1  0.25000000  0.27849100  0.25532300  1
  Ba  Ba15  1  0.25000000  0.22150900  0.75532300  1
  Ba  Ba16  1  0.25000000  0.86652400  0.66427000  1
  Ba  Ba17  1  0.25000000  0.63347600  0.16427000  1
  Ba  Ba18  1  0.75000000  0.13347600  0.33573000  1
  Ba  Ba19  1  0.75000000  0.36652400  0.83573000  1
  Li  Li20  1  0.25000000  0.09832300  0.95777100  1
  Li  Li21  1  0.25000000  0.40167700  0.45777100  1
  Li  Li22  1  0.75000000  0.90167700  0.04222900  1
  Li  Li23  1  0.75000000  0.59832300  0.54222900  1
  Ga  Ga24  1  0.25000000  0.57551200  0.85885100  1
  Ga  Ga25  1  0.25000000  0.92448800  0.35885100  1
  Ga  Ga26  1  0.75000000  0.42448800  0.14114900  1
  Ga  Ga27  1  0.75000000  0.07551200  0.64114900  1
  N  N28  1  0.25000000  0.60161100  0.97961000  1
  N  N29  1  0.25000000  0.89838900  0.47961000  1
  N  N30  1  0.75000000  0.39838900  0.02039000  1
  N  N31  1  0.75000000  0.10161100  0.52039000  1
  N  N32  1  0.25000000  0.69721200  0.78164900  1
  N  N33  1  0.25000000  0.80278800  0.28164900  1
  N  N34  1  0.75000000  0.30278800  0.21835100  1
  N  N35  1  0.75000000  0.19721200  0.71835100  1
  N  N36  1  0.25000000  0.42740300  0.81583400  1
  N  N37  1  0.25000000  0.07259700  0.31583400  1
  N  N38  1  0.75000000  0.57259700  0.18416600  1
  N  N39  1  0.75000000  0.92740300  0.68416600  1
  F  F40  1  0.01216200  0.19895400  0.91104100  1
  F  F41  1  0.48783800  0.30104600  0.41104100  1
  F  F42  1  0.51216200  0.80104600  0.08895900  1
  F  F43  1  0.98783800  0.69895400  0.58895900  1
  F  F44  1  0.98783800  0.80104600  0.08895900  1
  F  F45  1  0.51216200  0.69895400  0.58895900  1
  F  F46  1  0.48783800  0.19895400  0.91104100  1
  F  F47  1  0.01216200  0.30104600  0.41104100  1
  F  F48  1  0.00000000  0.00000000  0.00000000  1
  F  F49  1  0.50000000  0.50000000  0.50000000  1
  F  F50  1  0.50000000  0.00000000  0.00000000  1
  F  F51  1  0.00000000  0.50000000  0.50000000  1
  F  F52  1  0.75000000  0.81449300  0.90724700  1
  F  F53  1  0.75000000  0.68550700  0.40724700  1
  F  F54  1  0.25000000  0.18550700  0.09275300  1
  F  F55  1  0.25000000  0.31449300  0.59275300  1
  F  F56  1  0.75000000  0.50653400  0.67804400  1
  F  F57  1  0.75000000  0.99346600  0.17804400  1
  F  F58  1  0.25000000  0.49346600  0.32195600  1
  F  F59  1  0.25000000  0.00653400  0.82195600  1
