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 [Cm]
_cell_length_a [12.4411]
_cell_length_b [7.1943]
_cell_length_c [7.4862]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.8143]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KIn3Ir]
_chemical_formula_sum '[K4 In12 Ir4]'
_cell_volume [569.3841]
_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  2  0.0385  0.0000  0.9960  1.0
  K  K1  2  0.3055  0.0000  0.5498  1.0
  In  In2  4  0.0256  0.2002  0.5219  1.0
  In  In3  4  0.3046  0.2430  0.0243  1.0
  In  In4  2  0.0801  0.5000  0.0402  1.0
  In  In5  2  0.2466  0.5000  0.5143  1.0
  Ir  Ir6  2  0.1508  0.5000  0.7673  1.0
  Ir  Ir7  2  0.4766  0.0000  0.2662  1.0
]