data_InRhBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.33
_cell_length_b   4.27
_cell_length_c   5.65
_cell_angle_alpha   90.0
_cell_angle_beta   112.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InRhBr2
_chemical_formula_sum   'In1 Rh1 Br2'
_cell_volume   96.8
_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  0.51  0.14  0.49  1.0
  Rh  Rh3  1  0.68  0.0  0.46  1.0
  Br  Br0  1  0.86  0.14  0.28  1.0
  Br  Br1  1  0.57  0.0  0.62  1.0

data_InRhBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.27
_cell_length_b   4.33
_cell_length_c   5.65
_cell_angle_alpha   112.23
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InRhBr2
_chemical_formula_sum   'In1 Rh1 Br2'
_cell_volume   96.8
_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  0.86  0.49  0.51  1.0
  Rh  Rh1  1  0.0  0.32  0.54  1.0
  Br  Br2  1  0.0  0.43  0.38  1.0
  Br  Br3  1  0.86  0.14  0.72  1.0

In Rh Br Br
In Rh Br Br 0 1 o o o 0 3 o o o 1 3 o o o 1 2 o o o 