data_[In1Sn2Bi1Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
  Bi  2.0200  1.6000  1.0350
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.9448]
_cell_length_b [7.2986]
_cell_length_c [9.1658]
_cell_angle_alpha [87.6707]
_cell_angle_beta [88.4006]
_cell_angle_gamma [88.8131]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [InSn2BiBr8]
_chemical_formula_sum '[In1 Sn2 Bi1 Br8]'
_cell_volume [463.9370]
_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
[
  In  In0  1  0.0000  0.0000  0.5000  1.0
  Sn  Sn1  2  0.4918  0.4901  0.7482  1.0
  Bi  Bi2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  2  0.2381  0.8291  0.7768  1.0
  Br  Br4  2  0.2410  0.3240  0.9814  1.0
  Br  Br5  2  0.2522  0.8463  0.2232  1.0
  Br  Br6  2  0.2790  0.3565  0.5250  1.0
]