data_[K4P8Ir12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  P  2.1900  1.0000  0.5500
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.7902]
_cell_length_b [3.9454]
_cell_length_c [8.6256]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.3547]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KP2Ir3]
_chemical_formula_sum '[K4 P8 Ir12]'
_cell_volume [462.0952]
_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  0.1447  0.0000  0.0535  1
  P  P1  4  0.0237  0.5000  0.2254  1
  P  P2  4  0.1817  0.0000  0.6507  1
  Ir  Ir3  4  0.0449  0.0000  0.3884  1
  Ir  Ir4  4  0.0984  0.5000  0.6561  1
  Ir  Ir5  4  0.1864  0.5000  0.4233  1
]