data_MnIr2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   4.64
_cell_angle_alpha   99.9
_cell_angle_beta   99.9
_cell_angle_gamma   33.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnIr2Ru
_chemical_formula_sum   'Mn1 Ir2 Ru1'
_cell_volume   54.05
_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  Mn2  1  0.01  0.0  0.28  1.0
  Ir  Ir0  1  0.0  0.0  0.02  1.0
  Ir  Ir1  1  0.56  0.0  0.37  1.0
  Ru  Ru3  1  0.44  0.0  0.17  1.0

data_MnIr2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.68
_cell_length_b   4.62
_cell_length_c   4.64
_cell_angle_alpha   99.9
_cell_angle_beta   90.0
_cell_angle_gamma   106.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnIr2Ru
_chemical_formula_sum   'Mn1 Ir2 Ru1'
_cell_volume   54.05
_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  0.99  0.72  1.0
  Ir  Ir1  1  0.0  0.44  0.63  1.0
  Ru  Ru2  1  0.0  0.56  0.83  1.0
  Ir  Ir3  1  0.0  1.0  0.98  1.0

Mn Ir Ir Ru