data_[P12W24C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  P  2.1900  1.0000  0.5500
  W  2.3600  1.3500  0.7667
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.3049]
_cell_length_b [5.3571]
_cell_length_c [12.4924]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4261]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [PW2C]
_chemical_formula_sum '[P12 W24 C12]'
_cell_volume [603.0735]
_cell_formula_units_Z [12]
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  8  0.1726  0.4124  0.7496  1
  P  P1  4  0.0000  0.0686  0.2500  1
  W  W2  8  0.0469  0.4140  0.3878  1
  W  W3  8  0.1164  0.0872  0.5996  1
  W  W4  8  0.2182  0.0868  0.8994  1
  C  C5  8  0.0806  0.2573  1.0000  1
  C  C6  4  0.2500  0.2500  0.5000  1
]