data_[P4Pd16Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  P  2.1900  1.0000  0.5500
  Pd  2.2000  1.4000  0.8462
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.1383]
_cell_length_b [5.9764]
_cell_length_c [5.5041]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.7990]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [PPd4Pb]
_chemical_formula_sum '[P4 Pd16 Pb4]'
_cell_volume [428.1841]
_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
[
  P  P0  4  0.2500  0.2500  0.5000  1.0
  Pd  Pd1  8  0.0972  0.4323  0.4105  1.0
  Pd  Pd2  8  0.1862  0.0912  0.1217  1.0
  Pb  Pb3  4  0.0000  0.1554  0.7500  1.0
]