# generated using pymatgen
data_CsPbBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.19814187
_cell_length_b   8.19814187
_cell_length_c   8.37386178
_cell_angle_alpha   119.30823798
_cell_angle_beta   119.30823798
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsPbBr3
_chemical_formula_sum   'Cs2 Pb2 Br6'
_cell_volume   406.14133522
_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
  Cs  Cs0  1  0.25000000  0.75000000  0.50000000  1.0
  Cs  Cs1  1  0.75000000  0.25000000  0.50000000  1.0
  Pb  Pb2  1  0.00000000  -0.00000000  -0.00000000  1.0
  Pb  Pb3  1  0.50000000  0.50000000  -0.00000000  1.0
  Br  Br4  1  0.25000000  0.25000000  0.50000000  1.0
  Br  Br5  1  0.75000000  0.75000000  0.50000000  1.0
  Br  Br6  1  0.18451992  0.68451992  0.00000000  1.0
  Br  Br7  1  0.81548008  0.31548008  -0.00000000  1.0
  Br  Br8  1  0.31548008  0.18451992  0.00000000  1.0
  Br  Br9  1  0.68451992  0.81548008  -0.00000000  1.0