data_SrMo2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.86
_cell_length_b   3.85
_cell_length_c   7.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMo2Ir
_chemical_formula_sum   'Sr1 Mo2 Ir1'
_cell_volume   83.37
_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
  Sr  Sr3  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.43  0.93  0.04  1.0
  Mo  Mo2  1  0.43  0.93  0.52  1.0
  Ir  Ir0  1  0.0  0.0  0.78  1.0

data_SrMo2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   3.85
_cell_length_c   7.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMo2Ir
_chemical_formula_sum   'Sr1 Mo2 Ir1'
_cell_volume   83.37
_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
  Sr  Sr0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.43  0.93  0.04  1.0
  Mo  Mo2  1  0.43  0.93  0.52  1.0
  Ir  Ir3  1  0.0  0.0  0.78  1.0

Sr Mo Mo Ir