data_[K4Rh4Pb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Rh  2.2800  1.3500  0.7450
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.5130]
_cell_length_b [4.9028]
_cell_length_c [12.5180]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [KRhPb3]
_chemical_formula_sum '[K4 Rh4 Pb12]'
_cell_volume [583.8362]
_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  0.1837  0.2500  0.9986  1.0
  Rh  Rh1  4  0.0793  0.2500  0.6501  1.0
  Pb  Pb2  4  0.0659  0.2500  0.4219  1.0
  Pb  Pb3  4  0.1275  0.7500  0.7848  1.0
  Pb  Pb4  4  0.1410  0.7500  0.2121  1.0
]