data_[P4Pd4]
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 [Cm]
_cell_length_a [9.1195]
_cell_length_b [3.5672]
_cell_length_c [4.2899]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.3499]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [PPd]
_chemical_formula_sum '[P4 Pd4]'
_cell_volume [138.6999]
_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  2  0.2729  0.5000  0.2050  1
  P  P1  2  0.4545  0.5000  0.5774  1
  Pd  Pd2  2  0.1047  0.0000  0.1573  1
  Pd  Pd3  2  0.3757  0.0000  0.8873  1
]