data_[P4Pt8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  P  2.1900  1.0000  0.5500
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.2225]
_cell_length_b [3.5082]
_cell_length_c [5.5377]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0379]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PPt2]
_chemical_formula_sum '[P4 Pt8]'
_cell_volume [188.8341]
_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  0.1846  0.0000  0.6523  1.0
  Pt  Pt1  4  0.0647  0.5000  0.7712  1.0
  Pt  Pt2  4  0.1430  0.0000  0.2104  1.0
]