data_MnMoIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.04
_cell_length_b   6.04
_cell_length_c   6.04
_cell_angle_alpha   154.29
_cell_angle_beta   154.29
_cell_angle_gamma   36.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnMoIr
_chemical_formula_sum   'Mn1 Mo1 Ir1'
_cell_volume   41.35
_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  0.58  1.0
  Mo  Mo2  1  0.0  0.0  0.76  1.0
  Ir  Ir0  1  0.0  0.0  0.12  1.0

data_MnMoIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.8
_cell_length_b   3.8
_cell_length_c   6.04
_cell_angle_alpha   90.0
_cell_angle_beta   108.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnMoIr
_chemical_formula_sum   'Mn2 Mo2 Ir2'
_cell_volume   82.71
_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+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.42  1.0
  Mo  Mo1  2  0.0  0.0  0.24  1.0
  Ir  Ir2  2  0.0  0.0  0.88  1.0

Mn Mo Ir