data_MnSiRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34
_cell_length_b   5.31
_cell_length_c   2.77
_cell_angle_alpha   75.53
_cell_angle_beta   74.33
_cell_angle_gamma   30.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnSiRh
_chemical_formula_sum   'Mn1 Si1 Rh1'
_cell_volume   37.89
_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  0.92  1.0  0.76  1.0
  Si  Si2  1  0.92  1.0  0.29  1.0
  Rh  Rh1  1  0.92  1.0  0.74  1.0

data_MnSiRh
_symmetry_space_group_name_H-M   Imm2
_cell_length_a   2.77
_cell_length_b   9.9
_cell_length_c   2.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   44
_chemical_formula_structural   MnSiRh
_chemical_formula_sum   'Mn2 Si2 Rh2'
_cell_volume   75.84
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z+1/2'
  6  '-x+1/2, -y+1/2, z+1/2'
  7  '-x+1/2, y+1/2, z+1/2'
  8  'x+1/2, -y+1/2, z+1/2'
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  2  0.0  0.0  0.68  1.0
  Si  Si1  2  0.0  0.0  0.21  1.0
  Rh  Rh2  2  0.0  0.0  0.66  1.0

Mn Si Rh
Mn Si Rh 0 2 o o o 0 1 o o + 0 1 o o o 1 2 o o - 1 2 o o o 