data_[Cs8Sb4Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sb  2.0500  1.4500  0.8300
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [7.1837]
_cell_length_b [11.8965]
_cell_length_c [8.0019]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Cs2SbIr]
_chemical_formula_sum '[Cs8 Sb4 Ir4]'
_cell_volume [683.8527]
_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
[
  Cs  Cs0  4  0.0000  0.1754  0.6781  1
  Cs  Cs1  4  0.5000  0.1634  0.2705  1
  Sb  Sb2  2  0.0000  0.0000  0.2664  1
  Sb  Sb3  2  0.5000  0.0000  0.8435  1
  Ir  Ir4  4  0.1869  0.0000  0.9965  1
]