# generated using pymatgen
data_Ba9LiSi10C(ClO4)7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.56890400
_cell_length_b   11.74482400
_cell_length_c   17.99327100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba9LiSi10C(ClO4)7
_chemical_formula_sum   'Ba18 Li2 Si20 C2 Cl14 O56'
_cell_volume   2022.17544106
_cell_formula_units_Z   2
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  0.00559600  0.95935400  0.25000000  1
  Ba  Ba1  1  0.60060000  0.54532700  0.39387500  1
  Ba  Ba2  1  0.29261900  0.25000000  0.39002900  1
  Ba  Ba3  1  0.26846100  0.75000000  0.75000000  1
  Ba  Ba4  1  0.60060000  0.95467300  0.39387500  1
  Ba  Ba5  1  0.70738100  0.75000000  0.89002900  1
  Ba  Ba6  1  0.73153900  0.25000000  0.25000000  1
  Ba  Ba7  1  0.70738100  0.75000000  0.60997100  1
  Ba  Ba8  1  0.99440400  0.45935400  0.75000000  1
  Ba  Ba9  1  0.00559600  0.54064600  0.25000000  1
  Ba  Ba10  1  0.39940000  0.45467300  0.60612500  1
  Ba  Ba11  1  0.39940000  0.04532700  0.89387500  1
  Ba  Ba12  1  0.60060000  0.95467300  0.10612500  1
  Ba  Ba13  1  0.29261900  0.25000000  0.10997100  1
  Ba  Ba14  1  0.39940000  0.04532700  0.60612500  1
  Ba  Ba15  1  0.99440400  0.04064600  0.75000000  1
  Ba  Ba16  1  0.39940000  0.45467300  0.89387500  1
  Ba  Ba17  1  0.60060000  0.54532700  0.10612500  1
  Li  Li18  1  0.53964100  0.75000000  0.25000000  1
  Li  Li19  1  0.46035900  0.25000000  0.75000000  1
  Si  Si20  1  0.71572600  0.25000000  0.83799000  1
  Si  Si21  1  0.06870700  0.88514900  0.59123800  1
  Si  Si22  1  0.79768300  0.03352300  0.56553300  1
  Si  Si23  1  0.20231700  0.53352300  0.06553300  1
  Si  Si24  1  0.20231700  0.96647700  0.06553300  1
  Si  Si25  1  0.93129300  0.11485100  0.40876200  1
  Si  Si26  1  0.28427400  0.75000000  0.16201000  1
  Si  Si27  1  0.93129300  0.11485100  0.09123800  1
  Si  Si28  1  0.28427400  0.75000000  0.33799000  1
  Si  Si29  1  0.79768300  0.03352300  0.93446700  1
  Si  Si30  1  0.71572600  0.25000000  0.66201000  1
  Si  Si31  1  0.79768300  0.46647700  0.93446700  1
  Si  Si32  1  0.93129300  0.38514900  0.40876200  1
  Si  Si33  1  0.06870700  0.61485100  0.59123800  1
  Si  Si34  1  0.93129300  0.38514900  0.09123800  1
  Si  Si35  1  0.06870700  0.61485100  0.90876200  1
  Si  Si36  1  0.06870700  0.88514900  0.90876200  1
  Si  Si37  1  0.20231700  0.96647700  0.43446700  1
  Si  Si38  1  0.20231700  0.53352300  0.43446700  1
  Si  Si39  1  0.79768300  0.46647700  0.56553300  1
  C  C40  1  0.77936800  0.75000000  0.25000000  1
  C  C41  1  0.22063200  0.25000000  0.75000000  1
  Cl  Cl42  1  0.54683100  0.91718600  0.75000000  1
  Cl  Cl43  1  0.45316900  0.41718600  0.25000000  1
  Cl  Cl44  1  0.59996100  0.25000000  0.07679000  1
  Cl  Cl45  1  0.21160100  0.25000000  0.94059500  1
  Cl  Cl46  1  0.21160100  0.25000000  0.55940500  1
  Cl  Cl47  1  0.45316900  0.08281400  0.25000000  1
  Cl  Cl48  1  0.54683100  0.58281400  0.75000000  1
  Cl  Cl49  1  0.90108400  0.75000000  0.75000000  1
  Cl  Cl50  1  0.78839900  0.75000000  0.05940500  1
  Cl  Cl51  1  0.40003900  0.75000000  0.92321000  1
  Cl  Cl52  1  0.40003900  0.75000000  0.57679000  1
  Cl  Cl53  1  0.59996100  0.25000000  0.42321000  1
  Cl  Cl54  1  0.09891600  0.25000000  0.25000000  1
  Cl  Cl55  1  0.78839900  0.75000000  0.44059500  1
  O  O56  1  0.13210900  0.92452300  0.51175400  1
  O  O57  1  0.35000500  0.02768300  0.44721100  1
  O  O58  1  0.08906700  0.05658800  0.10434200  1
  O  O59  1  0.20526000  0.86301200  0.12736300  1
  O  O60  1  0.86789100  0.07547700  0.01175400  1
  O  O61  1  0.28898300  0.15357400  0.75000000  1
  O  O62  1  0.45081500  0.75000000  0.34610200  1
  O  O63  1  0.83373500  0.07633100  0.34073300  1
  O  O64  1  0.16626500  0.57633100  0.84073300  1
  O  O65  1  0.91093300  0.55658800  0.60434200  1
  O  O66  1  0.71101700  0.84642600  0.25000000  1
  O  O67  1  0.79474000  0.36301200  0.62736300  1
  O  O68  1  0.96902100  0.25000000  0.41299600  1
  O  O69  1  0.91093300  0.55658800  0.89565800  1
  O  O70  1  0.79474000  0.13698800  0.87263700  1
  O  O71  1  0.64999500  0.52768300  0.94721100  1
  O  O72  1  0.35000500  0.47231700  0.05278900  1
  O  O73  1  0.79474000  0.36301200  0.87263700  1
  O  O74  1  0.64999500  0.52768300  0.55278900  1
  O  O75  1  0.71101700  0.65357400  0.25000000  1
  O  O76  1  0.13210900  0.92452300  0.98824600  1
  O  O77  1  0.20526000  0.63698800  0.37263700  1
  O  O78  1  0.83373500  0.42366900  0.34073300  1
  O  O79  1  0.54918500  0.25000000  0.84610200  1
  O  O80  1  0.08906700  0.44341200  0.39565800  1
  O  O81  1  0.35000500  0.47231700  0.44721100  1
  O  O82  1  0.16626500  0.92366900  0.84073300  1
  O  O83  1  0.03097900  0.75000000  0.58700400  1
  O  O84  1  0.28898300  0.34642600  0.75000000  1
  O  O85  1  0.83373500  0.07633100  0.15926700  1
  O  O86  1  0.45081500  0.75000000  0.15389800  1
  O  O87  1  0.08906700  0.05658800  0.39565800  1
  O  O88  1  0.20526000  0.63698800  0.12736300  1
  O  O89  1  0.86789100  0.42452300  0.01175400  1
  O  O90  1  0.13210900  0.57547700  0.98824600  1
  O  O91  1  0.91093300  0.94341200  0.60434200  1
  O  O92  1  0.64999500  0.97231700  0.55278900  1
  O  O93  1  0.76906900  0.25000000  0.75000000  1
  O  O94  1  0.86789100  0.07547700  0.48824600  1
  O  O95  1  0.64999500  0.97231700  0.94721100  1
  O  O96  1  0.91093300  0.94341200  0.89565800  1
  O  O97  1  0.79474000  0.13698800  0.62736300  1
  O  O98  1  0.96902100  0.25000000  0.08700400  1
  O  O99  1  0.13210900  0.57547700  0.51175400  1
  O  O100  1  0.08557200  0.25000000  0.75000000  1
  O  O101  1  0.83373500  0.42366900  0.15926700  1
  O  O102  1  0.23093100  0.75000000  0.25000000  1
  O  O103  1  0.35000500  0.02768300  0.05278900  1
  O  O104  1  0.20526000  0.86301200  0.37263700  1
  O  O105  1  0.91442800  0.75000000  0.25000000  1
  O  O106  1  0.03097900  0.75000000  0.91299600  1
  O  O107  1  0.16626500  0.92366900  0.65926700  1
  O  O108  1  0.86789100  0.42452300  0.48824600  1
  O  O109  1  0.08906700  0.44341200  0.10434200  1
  O  O110  1  0.54918500  0.25000000  0.65389800  1
  O  O111  1  0.16626500  0.57633100  0.65926700  1
