data_Mn2RhBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   133.59
_cell_angle_beta   133.59
_cell_angle_gamma   67.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2RhBr
_chemical_formula_sum   'Mn2 Rh1 Br1'
_cell_volume   65.17
_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  0.98  0.08  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.98  0.0  0.08  1.0
  Br  Br0  1  0.0  0.0  0.17  1.0

data_Mn2RhBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.95
_cell_length_b   3.95
_cell_length_c   5.02
_cell_angle_alpha   113.2
_cell_angle_beta   113.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2RhBr
_chemical_formula_sum   'Mn2 Rh1 Br1'
_cell_volume   65.17
_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  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.89  0.98  0.89  1.0
  Rh  Rh2  1  0.92  0.0  0.89  1.0
  Br  Br3  1  0.83  0.0  0.83  1.0

Mn Mn Rh Br