data_Mo2IrRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   2.76
_cell_length_c   7.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2IrRh
_chemical_formula_sum   'Mo2 Ir1 Rh1'
_cell_volume   60.7
_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  0.0  0.0  0.86  1.0
  Mo  Mo2  1  0.38  0.38  0.08  1.0
  Ir  Ir0  1  0.38  0.38  0.99  1.0
  Rh  Rh3  1  0.0  0.0  0.96  1.0

data_Mo2IrRh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.91
_cell_length_b   3.91
_cell_length_c   7.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mo2IrRh
_chemical_formula_sum   'Mo4 Ir2 Rh2'
_cell_volume   121.39
_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
  Mo  Mo0  2  0.0  0.0  0.86  1.0
  Mo  Mo1  2  0.38  0.0  0.08  1.0
  Ir  Ir2  2  0.38  0.0  0.99  1.0
  Rh  Rh3  2  0.0  0.0  0.96  1.0

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