data_[P4Pd28]
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 [Aea2]
_cell_length_a [9.1679]
_cell_length_b [9.8299]
_cell_length_c [5.4429]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [41]
_chemical_formula_structural [PPd7]
_chemical_formula_sum '[P4 Pd28]'
_cell_volume [490.5093]
_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  0.0000  0.5431  1
  Pd  Pd1  8  0.0439  0.2345  0.3830  1
  Pd  Pd2  8  0.1926  0.1096  0.7674  1
  Pd  Pd3  8  0.2160  0.3685  0.0275  1
  Pd  Pd4  4  0.0000  0.0000  0.1165  1
]