data_Sb2IrRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   5.58
_cell_angle_alpha   139.23
_cell_angle_beta   139.23
_cell_angle_gamma   59.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2IrRu
_chemical_formula_sum   'Sb2 Ir1 Ru1'
_cell_volume   73.23
_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  0.94  0.0  0.43  1.0
  Sb  Sb3  1  0.0  0.0  0.85  1.0
  Ir  Ir0  1  0.0  0.94  0.43  1.0
  Ru  Ru1  1  0.0  0.0  0.0  1.0

data_Sb2IrRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.88
_cell_length_b   3.88
_cell_length_c   5.58
_cell_angle_alpha   110.39
_cell_angle_beta   110.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2IrRu
_chemical_formula_sum   'Sb2 Ir1 Ru1'
_cell_volume   73.23
_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  0.15  0.0  0.15  1.0
  Sb  Sb1  1  0.57  0.0  0.52  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.52  0.94  0.52  1.0

Sb Sb Ir Ru