# generated using pymatgen
data_CuBiSCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.82319842
_cell_length_b   6.82319842
_cell_length_c   8.48403200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   145.38625778
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuBiSCl2
_chemical_formula_sum   'Cu2 Bi2 S2 Cl4'
_cell_volume   224.36654563
_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
  Cu  Cu0  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu1  1  0.00000000  0.00000000  0.50000000  1.0
  Bi  Bi2  1  0.29767800  0.70232200  0.25000000  1.0
  Bi  Bi3  1  0.70232200  0.29767800  0.75000000  1.0
  S  S4  1  0.06319100  0.93680900  0.75000000  1.0
  S  S5  1  0.93680900  0.06319100  0.25000000  1.0
  Cl  Cl6  1  0.64842500  0.35157500  0.06301300  1.0
  Cl  Cl7  1  0.64842500  0.35157500  0.43698700  1.0
  Cl  Cl8  1  0.35157500  0.64842500  0.93698700  1.0
  Cl  Cl9  1  0.35157500  0.64842500  0.56301300  1.0