data_[Nb8P12W16C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  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 [9.6833]
_cell_length_b [5.5909]
_cell_length_c [12.1006]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2348]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nb2P3W4C3]
_chemical_formula_sum '[Nb8 P12 W16 C12]'
_cell_volume [632.0914]
_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
[
  Nb  Nb0  8  0.0467  0.4168  0.3943  1
  P  P1  8  0.1761  0.4078  0.7499  1
  P  P2  4  0.0000  0.0648  0.2500  1
  W  W3  8  0.1128  0.0881  0.5920  1
  W  W4  8  0.2217  0.0796  0.9080  1
  C  C5  8  0.0843  0.2495  1.0000  1
  C  C6  4  0.2500  0.2500  0.5000  1
]