data_[Sb4Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [5.4008]
_cell_length_b [4.0455]
_cell_length_c [7.6899]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [SbIr]
_chemical_formula_sum '[Sb4 Ir4]'
_cell_volume [168.0191]
_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  Sb0  2  0.2500  0.0000  0.6738  1
  Sb  Sb1  2  0.2500  0.5000  0.0883  1
  Ir  Ir2  2  0.0000  0.5000  0.5000  1
  Ir  Ir3  2  0.2500  0.0000  0.3065  1
]