# generated using pymatgen
data_CuSCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.67024100
_cell_length_b   7.90003400
_cell_length_c   9.21778840
_cell_angle_alpha   72.59836987
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSCl
_chemical_formula_sum   'Cu12 S12 Cl12'
_cell_volume   810.94129069
_cell_formula_units_Z   12
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
  Cu  Cu0  1  0.38049200  0.10174200  0.91927200  1.0
  Cu  Cu1  1  0.88049200  0.89825800  0.08072800  1.0
  Cu  Cu2  1  0.61950800  0.89825800  0.08072800  1.0
  Cu  Cu3  1  0.11950800  0.10174200  0.91927200  1.0
  Cu  Cu4  1  0.37302800  0.41755600  0.55424100  1.0
  Cu  Cu5  1  0.87302800  0.58244400  0.44575900  1.0
  Cu  Cu6  1  0.62697200  0.58244400  0.44575900  1.0
  Cu  Cu7  1  0.12697200  0.41755600  0.55424100  1.0
  Cu  Cu8  1  0.25000000  0.85139300  0.80037100  1.0
  Cu  Cu9  1  0.75000000  0.14860700  0.19962900  1.0
  Cu  Cu10  1  0.25000000  0.16469300  0.43028900  1.0
  Cu  Cu11  1  0.75000000  0.83530700  0.56971100  1.0
  S  S12  1  0.12394400  0.97161500  0.60061500  1.0
  S  S13  1  0.53782100  0.85326400  0.31734100  1.0
  S  S14  1  0.03782100  0.14673600  0.68265900  1.0
  S  S15  1  0.62394400  0.02838500  0.39938500  1.0
  S  S16  1  0.46217900  0.14673600  0.68265900  1.0
  S  S17  1  0.37605600  0.97161500  0.60061500  1.0
  S  S18  1  0.87605600  0.02838500  0.39938500  1.0
  S  S19  1  0.33592700  0.40692100  0.80370800  1.0
  S  S20  1  0.83592700  0.59307900  0.19629200  1.0
  S  S21  1  0.66407300  0.59307900  0.19629200  1.0
  S  S22  1  0.16407300  0.40692100  0.80370800  1.0
  S  S23  1  0.96217900  0.85326400  0.31734100  1.0
  Cl  Cl24  1  0.39689300  0.36408500  0.32656600  1.0
  Cl  Cl25  1  0.10310700  0.36408500  0.32656600  1.0
  Cl  Cl26  1  0.60310700  0.63591500  0.67343400  1.0
  Cl  Cl27  1  0.25000000  0.65800200  0.46263400  1.0
  Cl  Cl28  1  0.75000000  0.34199800  0.53736600  1.0
  Cl  Cl29  1  0.89928100  0.20668500  0.02294900  1.0
  Cl  Cl30  1  0.75000000  0.90915200  0.89011100  1.0
  Cl  Cl31  1  0.10071900  0.79331500  0.97705100  1.0
  Cl  Cl32  1  0.60071900  0.20668500  0.02294900  1.0
  Cl  Cl33  1  0.25000000  0.09084800  0.10988900  1.0
  Cl  Cl34  1  0.89689300  0.63591500  0.67343400  1.0
  Cl  Cl35  1  0.39928100  0.79331500  0.97705100  1.0