data_InBiBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.52
_cell_length_b   6.52
_cell_length_c   5.48
_cell_angle_alpha   90.2
_cell_angle_beta   90.2
_cell_angle_gamma   32.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InBiBr2
_chemical_formula_sum   'In1 Bi1 Br2'
_cell_volume   126.36
_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  In3  1  0.28  0.0  0.85  1.0
  Bi  Bi0  1  0.61  0.0  0.51  1.0
  Br  Br1  1  0.27  0.0  0.32  1.0
  Br  Br2  1  0.56  0.0  0.02  1.0

data_InBiBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.68
_cell_length_b   5.48
_cell_length_c   6.52
_cell_angle_alpha   90.2
_cell_angle_beta   106.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InBiBr2
_chemical_formula_sum   'In1 Bi1 Br2'
_cell_volume   126.36
_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  0.0  0.85  0.28  1.0
  Bi  Bi1  1  0.0  0.51  0.61  1.0
  Br  Br2  1  0.0  0.02  0.56  1.0
  Br  Br3  1  0.0  0.32  0.27  1.0

In Bi Br Br
In Bi Br Br 0 3 o o + 0 1 o o o 0 2 o o + 0 2 o o o 1 3 o o o 1 3 o o + 1 2 o o o 2 3 o o o 