# generated using pymatgen
data_CuPbBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.99802508
_cell_length_b   7.99802508
_cell_length_c   7.99802508
_cell_angle_alpha   119.39891452
_cell_angle_beta   119.39891452
_cell_angle_gamma   91.04430225
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuPbBr3
_chemical_formula_sum   'Cu2 Pb2 Br6'
_cell_volume   364.99181922
_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  0.25000000  0.75000000  0.50000000  1.0
  Cu  Cu1  1  0.75000000  0.25000000  0.50000000  1.0
  Pb  Pb2  1  0.50000000  0.50000000  0.00000000  1.0
  Pb  Pb3  1  0.00000000  0.00000000  0.00000000  1.0
  Br  Br4  1  0.75000000  0.75000000  0.00000000  1.0
  Br  Br5  1  0.25000000  0.25000000  0.00000000  1.0
  Br  Br6  1  0.14954200  0.64954200  0.79908300  1.0
  Br  Br7  1  0.85045800  0.35045800  0.20091700  1.0
  Br  Br8  1  0.64954200  0.85045800  0.50000000  1.0
  Br  Br9  1  0.35045800  0.14954200  0.50000000  1.0