data_[P4Pd12Pb8]
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 [Cmc2_1]
_cell_length_a [12.2727]
_cell_length_b [6.7652]
_cell_length_c [5.7567]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [PPd3Pb2]
_chemical_formula_sum '[P4 Pd12 Pb8]'
_cell_volume [477.9560]
_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  0.0000  0.2949  0.7075  1
  Pd  Pd1  8  0.1143  0.4564  0.9955  1
  Pd  Pd2  4  0.0000  0.0512  0.0166  1
  Pb  Pb3  8  0.1803  0.1601  0.3124  1
]