data_Mo2IrRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   4.81
_cell_angle_alpha   99.0
_cell_angle_beta   99.0
_cell_angle_gamma   33.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2IrRu
_chemical_formula_sum   'Mo2 Ir1 Ru1'
_cell_volume   60.47
_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
  Mo  Mo1  1  0.05  0.0  0.1  1.0
  Mo  Mo2  1  0.66  0.0  0.45  1.0
  Ir  Ir0  1  0.7  0.0  0.12  1.0
  Ru  Ru3  1  0.15  0.0  0.44  1.0

data_Mo2IrRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   4.79
_cell_length_c   4.81
_cell_angle_alpha   99.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2IrRu
_chemical_formula_sum   'Mo2 Ir1 Ru1'
_cell_volume   60.47
_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
  Mo  Mo0  1  0.0  0.34  0.55  1.0
  Mo  Mo1  1  0.0  0.95  0.9  1.0
  Ir  Ir2  1  0.0  0.3  0.88  1.0
  Ru  Ru3  1  0.0  0.85  0.56  1.0

Mo Mo Ir Ru
Mo Mo Ir Ru 0 2 - o o 0 3 o o o 1 2 o o o 