data_ReMoIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   4.82
_cell_angle_alpha   99.5
_cell_angle_beta   99.5
_cell_angle_gamma   33.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReMoIr2
_chemical_formula_sum   'Re1 Mo1 Ir2'
_cell_volume   59.79
_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
  Re  Re3  1  0.65  0.0  0.1  1.0
  Mo  Mo2  1  0.16  0.0  0.43  1.0
  Ir  Ir0  1  0.01  0.0  0.08  1.0
  Ir  Ir1  1  0.66  0.0  0.52  1.0

data_ReMoIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   4.78
_cell_length_c   4.82
_cell_angle_alpha   99.5
_cell_angle_beta   90.0
_cell_angle_gamma   106.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReMoIr2
_chemical_formula_sum   'Re1 Mo1 Ir2'
_cell_volume   59.79
_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
  Re  Re0  1  0.0  0.35  0.9  1.0
  Mo  Mo1  1  0.0  0.84  0.57  1.0
  Ir  Ir2  1  0.0  0.34  0.48  1.0
  Ir  Ir3  1  0.0  0.99  0.92  1.0

Re Mo Ir Ir