data_[Sc8Ni12W16C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ni  1.9100  1.3500  0.7400
  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 [9.1447]
_cell_length_b [5.2759]
_cell_length_c [13.4477]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6820]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sc2Ni3W4C3]
_chemical_formula_sum '[Sc8 Ni12 W16 C12]'
_cell_volume [630.3984]
_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  0.0394  0.4179  0.8786  1
  Ni  Ni1  8  0.2434  0.6570  0.7521  1
  Ni  Ni2  4  0.0000  0.0745  0.2500  1
  W  W3  8  0.1114  0.0961  0.0860  1
  W  W4  8  0.2266  0.0790  0.4141  1
  C  C5  8  0.0831  0.2514  0.5001  1
  C  C6  4  0.2500  0.2500  0.0000  1
]