data_MnBRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.78
_cell_length_b   6.23
_cell_length_c   6.23
_cell_angle_alpha   25.27
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBRh2
_chemical_formula_sum   'Mn1 B1 Rh2'
_cell_volume   45.97
_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  0.39  0.0  0.91  1.0
  B  B0  1  0.0  0.0  0.22  1.0
  Rh  Rh2  1  0.0  0.0  0.55  1.0
  Rh  Rh3  1  0.39  0.0  0.63  1.0

data_MnBRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   2.78
_cell_length_c   6.23
_cell_angle_alpha   90.0
_cell_angle_beta   102.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBRh2
_chemical_formula_sum   'Mn1 B1 Rh2'
_cell_volume   45.97
_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  0.09  0.39  0.09  1.0
  B  B1  1  0.78  0.0  0.78  1.0
  Rh  Rh2  1  0.37  0.39  0.37  1.0
  Rh  Rh3  1  0.45  0.0  0.45  1.0

Mn B Rh Rh
Mn B Rh Rh 0 3 o o o 0 1 + o + 0 1 o o + 1 2 o o o 2 3 o o o 