data_MnIrRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.68
_cell_length_b   3.74
_cell_length_c   5.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnIrRh2
_chemical_formula_sum   'Mn1 Ir1 Rh2'
_cell_volume   54.04
_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  0.02  1.0
  Ir  Ir0  1  0.34  0.87  0.77  1.0
  Rh  Rh2  1  0.34  0.87  0.34  1.0
  Rh  Rh3  1  0.0  0.0  0.35  1.0

data_MnIrRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.68
_cell_length_b   3.74
_cell_length_c   5.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnIrRh2
_chemical_formula_sum   'Mn1 Ir1 Rh2'
_cell_volume   54.04
_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  0.02  1.0
  Ir  Ir1  1  0.34  0.87  0.77  1.0
  Rh  Rh2  1  0.0  0.0  0.35  1.0
  Rh  Rh3  1  0.34  0.87  0.34  1.0

Mn Ir Rh Rh
Mn Ir Rh Rh 0 1 o - - 0 2 o - o 0 3 o o o 2 3 o + o 