data_BiRhBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.76
_cell_length_b   3.76
_cell_length_c   7.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiRhBr2
_chemical_formula_sum   'Bi1 Rh1 Br2'
_cell_volume   108.76
_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
  Bi  Bi0  1  0.55  0.0  0.39  1.0
  Rh  Rh3  1  0.0  0.0  0.35  1.0
  Br  Br1  1  0.0  0.0  0.61  1.0
  Br  Br2  1  0.55  0.0  0.19  1.0

data_BiRhBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.76
_cell_length_b   3.76
_cell_length_c   7.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiRhBr2
_chemical_formula_sum   'Bi1 Rh1 Br2'
_cell_volume   108.76
_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
  Bi  Bi0  1  0.55  0.0  0.39  1.0
  Rh  Rh1  1  0.0  0.0  0.35  1.0
  Br  Br2  1  0.0  0.0  0.61  1.0
  Br  Br3  1  0.55  0.0  0.19  1.0

Bi Rh Br Br
Bi Rh Br Br 0 1 + o o 0 1 o o o 0 3 o o o 0 2 + o o 1 3 - o o 1 2 o o o 