data_MnRh2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   5.36
_cell_angle_alpha   147.14
_cell_angle_beta   130.5
_cell_angle_gamma   60.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnRh2Br
_chemical_formula_sum   'Mn1 Rh2 Br1'
_cell_volume   62.88
_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
  Mn  Mn1  1  0.0  0.0  0.88  1.0
  Rh  Rh2  1  0.0  0.24  0.62  1.0
  Rh  Rh3  1  0.0  0.0  0.42  1.0
  Br  Br0  1  0.52  0.0  0.56  1.0

data_MnRh2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   4.49
_cell_length_c   5.36
_cell_angle_alpha   114.75
_cell_angle_beta   106.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnRh2Br
_chemical_formula_sum   'Mn1 Rh2 Br1'
_cell_volume   62.88
_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
  Mn  Mn0  1  0.12  0.12  0.12  1.0
  Rh  Rh1  1  0.38  0.62  0.62  1.0
  Rh  Rh2  1  0.58  0.58  0.58  1.0
  Br  Br3  1  0.95  0.44  0.95  1.0

Mn Rh Rh Br