data_Sb2MoIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93
_cell_length_b   4.11
_cell_length_c   7.45
_cell_angle_alpha   90.0
_cell_angle_beta   98.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2MoIr
_chemical_formula_sum   'Sb2 Mo1 Ir1'
_cell_volume   88.83
_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
  Sb  Sb2  1  0.49  0.05  0.83  1.0
  Sb  Sb3  1  0.58  0.0  0.38  1.0
  Mo  Mo1  1  0.03  0.0  0.12  1.0
  Ir  Ir0  1  0.5  0.05  0.11  1.0

data_Sb2MoIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.11
_cell_length_c   7.45
_cell_angle_alpha   90.0
_cell_angle_beta   98.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2MoIr
_chemical_formula_sum   'Sb2 Mo1 Ir1'
_cell_volume   88.83
_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
  Sb  Sb0  1  0.49  0.05  0.83  1.0
  Sb  Sb1  1  0.58  0.0  0.38  1.0
  Mo  Mo2  1  0.03  0.0  0.12  1.0
  Ir  Ir3  1  0.5  0.05  0.11  1.0

Sb Sb Mo Ir