data_NbRhBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.34
_cell_length_b   8.19
_cell_length_c   8.19
_cell_angle_alpha   24.85
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbRhBr2
_chemical_formula_sum   'Nb1 Rh1 Br2'
_cell_volume   94.24
_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
  Nb  Nb2  1  0.0  0.0  0.47  1.0
  Rh  Rh3  1  0.67  0.0  0.33  1.0
  Br  Br0  1  0.0  0.0  0.76  1.0
  Br  Br1  1  0.67  0.0  0.52  1.0

data_NbRhBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   3.53
_cell_length_c   8.19
_cell_angle_alpha   102.42
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbRhBr2
_chemical_formula_sum   'Nb1 Rh1 Br2'
_cell_volume   94.24
_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
  Nb  Nb0  1  0.0  0.47  0.47  1.0
  Rh  Rh1  1  0.33  0.33  0.33  1.0
  Br  Br2  1  0.0  0.76  0.76  1.0
  Br  Br3  1  0.33  0.52  0.52  1.0

Nb Rh Br Br