data_In2BBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.93
_cell_length_b   5.93
_cell_length_c   5.93
_cell_angle_alpha   143.82
_cell_angle_beta   97.47
_cell_angle_gamma   93.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2BBr
_chemical_formula_sum   'In2 B1 Br1'
_cell_volume   116.63
_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  In2  1  0.84  0.5  0.0  1.0
  In  In3  1  0.0  0.41  0.06  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Br  Br1  1  0.0  0.91  0.0  1.0

data_In2BBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.68
_cell_length_b   5.93
_cell_length_c   5.93
_cell_angle_alpha   82.53
_cell_angle_beta   71.91
_cell_angle_gamma   71.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2BBr
_chemical_formula_sum   'In2 B1 Br1'
_cell_volume   116.63
_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  0.06  0.0  0.35  1.0
  In  In1  1  0.16  0.84  0.5  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  Br  Br3  1  -0.0  0.0  0.91  1.0

In In B Br