data_[P4Pt4W4]
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
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.3525]
_cell_length_b [3.5555]
_cell_length_c [5.8089]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5644]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PPtW]
_chemical_formula_sum '[P4 Pt4 W4]'
_cell_volume [202.6915]
_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  0.1735  0.5000  0.7064  1
  Pt  Pt1  4  0.1110  0.0000  0.9288  1
  W  W2  4  0.1280  0.0000  0.4254  1
]