data_[Sc16P12W8C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  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 [9.8832]
_cell_length_b [5.7684]
_cell_length_c [12.4315]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6824]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sc4P3W2C3]
_chemical_formula_sum '[Sc16 P12 W8 C12]'
_cell_volume [682.3414]
_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
[
  Sc  Sc0  8  0.1192  0.0761  0.6079  1
  Sc  Sc1  8  0.2095  0.0895  0.8918  1
  P  P2  8  0.1502  0.4351  0.7495  1
  P  P3  4  0.0000  0.1201  0.2500  1
  W  W4  8  0.0584  0.5869  0.9136  1
  C  C5  8  0.0792  0.2623  0.9998  1
  C  C6  4  0.2500  0.2500  0.5000  1
]