data_[Ba2Sb4Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sb  2.0500  1.4500  0.8300
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.7961]
_cell_length_b [4.7018]
_cell_length_c [10.5489]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.4982]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba(SbIr)2]
_chemical_formula_sum '[Ba2 Sb4 Ir4]'
_cell_volume [237.7963]
_cell_formula_units_Z [2]
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
[
  Ba  Ba0  2  0.2598  0.2500  0.7505  1.0
  Sb  Sb1  2  0.2131  0.2500  0.1221  1.0
  Sb  Sb2  2  0.2519  0.7500  0.5030  1.0
  Ir  Ir3  2  0.2407  0.2500  0.3797  1.0
  Ir  Ir4  2  0.3028  0.7500  0.0035  1.0
]