data_[K1H6Ir1Pb1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  H  2.2000  0.2500  0.0000
  Ir  2.2000  1.3500  0.7650
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.1628]
_cell_length_b [5.1628]
_cell_length_c [5.3009]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [KH6IrPb]
_chemical_formula_sum '[K1 H6 Ir1 Pb1]'
_cell_volume [122.3632]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.1176  1.0
  H  H1  3  0.3539  0.1769  0.6499  1.0
  H  H2  3  0.5208  0.0415  0.2731  1.0
  Ir  Ir3  1  0.6667  0.3333  0.4762  1.0
  Pb  Pb4  1  0.3333  0.6667  0.6366  1.0
]