data_Sb2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.15
_cell_length_b   4.34
_cell_length_c   8.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2Ir
_chemical_formula_sum   'Sb8 Ir4'
_cell_volume   268.68
_cell_formula_units_Z   4
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  Sb4  1  0.4  0.09  0.12  1.0
  Sb  Sb5  1  0.17  0.26  0.45  1.0
  Sb  Sb6  1  0.98  0.09  0.21  1.0
  Sb  Sb7  1  0.74  0.26  0.54  1.0
  Sb  Sb8  1  0.47  0.09  0.74  1.0
  Sb  Sb9  1  0.25  0.26  0.41  1.0
  Sb  Sb10  1  0.9  0.09  0.25  1.0
  Sb  Sb11  1  0.68  0.26  0.92  1.0
  Ir  Ir0  1  0.74  0.09  0.0  1.0
  Ir  Ir1  1  0.84  0.26  0.68  1.0
  Ir  Ir2  1  0.31  0.09  0.98  1.0
  Ir  Ir3  1  0.41  0.26  0.65  1.0

data_Sb2Ir
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.34
_cell_length_b   7.15
_cell_length_c   8.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Sb2Ir
_chemical_formula_sum   'Sb8 Ir4'
_cell_volume   268.68
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.41  0.32  0.42  1.0
  Sb  Sb1  2  0.41  0.4  0.38  1.0
  Sb  Sb2  2  0.41  0.83  0.29  1.0
  Sb  Sb3  2  0.41  0.9  0.91  1.0
  Ir  Ir4  2  0.41  0.16  0.18  1.0
  Ir  Ir5  2  0.41  0.74  0.15  1.0

Sb Sb Sb Sb Sb Sb Sb Sb Ir Ir Ir Ir