data_[P8Pd16]
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
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.2812]
_cell_length_b [16.9683]
_cell_length_c [6.4418]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [PPd2]
_chemical_formula_sum '[P8 Pd16]'
_cell_volume [358.6583]
_cell_formula_units_Z [8]
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  0.1980  0.2515  1.0
  P  P1  4  0.0000  0.4439  0.3135  1.0
  Pd  Pd2  4  0.0000  0.0442  0.5404  1.0
  Pd  Pd3  4  0.0000  0.1587  0.8781  1.0
  Pd  Pd4  4  0.0000  0.3099  0.0197  1.0
  Pd  Pd5  4  0.0000  0.4195  0.6824  1.0
]