# generated using pymatgen
data_CdInBr18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.18056557
_cell_length_b   9.14896469
_cell_length_c   9.16739065
_cell_angle_alpha   86.89853890
_cell_angle_beta   86.87307035
_cell_angle_gamma   87.21678302
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdInBr18
_chemical_formula_sum   'Cd1 In1 Br18'
_cell_volume   766.91752672
_cell_formula_units_Z   1
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  0.00000000  1.0
  In  In1  1  0.50000000  0.50000000  0.50000000  1.0
  Br  Br2  1  0.79293193  0.46277499  0.49721047  1.0
  Br  Br3  1  0.50229661  0.79488437  0.46428984  1.0
  Br  Br4  1  0.46782796  0.50033527  0.79447007  1.0
  Br  Br5  1  0.20706807  0.53722501  0.50278953  1.0
  Br  Br6  1  0.49770339  0.20511563  0.53571016  1.0
  Br  Br7  1  0.53217204  0.49966473  0.20552993  1.0
  Br  Br8  1  0.89566514  0.37869536  0.74893758  1.0
  Br  Br9  1  0.75296361  0.89758921  0.37790516  1.0
  Br  Br10  1  0.37888641  0.75068148  0.89597072  1.0
  Br  Br11  1  0.10433486  0.62130464  0.25106242  1.0
  Br  Br12  1  0.24703639  0.10241079  0.62209484  1.0
  Br  Br13  1  0.62111359  0.24931852  0.10402928  1.0
  Br  Br14  1  0.01943675  0.97481090  0.69957730  1.0
  Br  Br15  1  0.69918893  0.02145715  0.97873384  1.0
  Br  Br16  1  0.97795323  0.69739089  0.02451895  1.0
  Br  Br17  1  0.98056325  0.02518910  0.30042270  1.0
  Br  Br18  1  0.30081107  0.97854285  0.02126616  1.0
  Br  Br19  1  0.02204677  0.30260911  0.97548105  1.0