data_[P8Pd24Pt8]
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
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.7389]
_cell_length_b [5.6459]
_cell_length_c [12.2168]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.8636]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [PPd3Pt]
_chemical_formula_sum '[P8 Pd24 Pt8]'
_cell_volume [618.9678]
_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  0.0000  0.0000  1
  P  P1  4  0.0000  0.3639  0.7500  1
  Pd  Pd2  8  0.0976  0.3588  0.6018  1
  Pd  Pd3  8  0.1422  0.1631  0.1807  1
  Pd  Pd4  8  0.1555  0.3890  0.3944  1
  Pt  Pt5  8  0.1497  0.1022  0.8935  1
]