data_[In2Bi2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Bi  2.0200  1.6000  1.0350
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [9.2359]
_cell_length_b [3.8048]
_cell_length_c [11.4311]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8399]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [InBiBr3]
_chemical_formula_sum '[In2 Bi2 Br6]'
_cell_volume [382.3825]
_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
[
  In  In0  2  0.2154  0.0000  0.6659  1
  Bi  Bi1  2  0.1820  0.5000  0.1790  1
  Br  Br2  2  0.1500  0.5000  0.4155  1
  Br  Br3  2  0.1546  0.5000  0.9122  1
  Br  Br4  2  0.4973  0.5000  0.7484  1
]