data_[P4Pd4Pt16]
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 [P2_1/c]
_cell_length_a [7.5759]
_cell_length_b [5.7141]
_cell_length_c [8.9215]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.3218]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [PPdPt4]
_chemical_formula_sum '[P4 Pd4 Pt16]'
_cell_volume [385.1053]
_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  0.3602  0.2148  0.2430  1
  Pd  Pd1  4  0.0424  0.7459  0.0084  1
  Pt  Pt2  4  0.0973  0.0207  0.2512  1
  Pt  Pt3  4  0.2516  0.5751  0.2971  1
  Pt  Pt4  4  0.3224  0.1000  0.5075  1
  Pt  Pt5  4  0.4051  0.6255  0.6040  1
]