# generated using pymatgen
data_CdBiS2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.05881400
_cell_length_b   6.90901240
_cell_length_c   9.71252756
_cell_angle_alpha   91.67546495
_cell_angle_beta   90.00000000
_cell_angle_gamma   107.08159593
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdBiS2Br
_chemical_formula_sum   'Cd2 Bi2 S4 Br2'
_cell_volume   260.22611174
_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
  Cd  Cd0  1  0.00000000  0.00000000  0.50000000  1.0
  Cd  Cd1  1  0.00000000  0.00000000  0.00000000  1.0
  Bi  Bi2  1  0.28237600  0.56475200  0.69397800  1.0
  Bi  Bi3  1  0.71762400  0.43524800  0.30602200  1.0
  S  S4  1  0.35561800  0.71123600  0.44609000  1.0
  S  S5  1  0.91811600  0.83623200  0.74380900  1.0
  S  S6  1  0.64438200  0.28876400  0.55391000  1.0
  S  S7  1  0.08188400  0.16376800  0.25619100  1.0
  Br  Br8  1  0.36171700  0.72343400  0.07191100  1.0
  Br  Br9  1  0.63828300  0.27656600  0.92808900  1.0