data_[K4In12Ir4]
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 [C2/m]
_cell_length_a [12.1617]
_cell_length_b [7.0803]
_cell_length_c [8.8683]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.6640]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KIn3Ir]
_chemical_formula_sum '[K4 In12 Ir4]'
_cell_volume [561.5344]
_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
[
  K  K0  4  0.1373  0.5000  0.2852  1.0
  In  In1  4  0.0000  0.2437  0.5000  1.0
  In  In2  4  0.1741  0.0000  0.2038  1.0
  In  In3  4  0.2500  0.2500  0.0000  1.0
  Ir  Ir4  4  0.0410  0.0000  0.7784  1.0
]