data_[K8In24Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  In  1.7800  1.5500  0.9400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [10.7945]
_cell_length_b [16.6224]
_cell_length_c [5.4789]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [KIn3Ir]
_chemical_formula_sum '[K8 In24 Ir8]'
_cell_volume [983.0878]
_cell_formula_units_Z [8]
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
[
  K  K0  8  0.0000  0.0839  0.5988  1
  In  In1  8  0.0000  0.1965  0.1299  1
  In  In2  8  0.1946  0.0000  0.0000  1
  In  In3  8  0.2500  0.1949  0.7500  1
  Ir  Ir4  8  0.2500  0.1348  0.2500  1
]