data_[Sc6Nb4W2C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Nb  1.6000  1.4500  0.8200
  W  2.3600  1.3500  0.7667
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.5186]
_cell_length_b [9.5482]
_cell_length_c [5.6183]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1728]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc3Nb2WC6]
_chemical_formula_sum '[Sc6 Nb4 W2 C12]'
_cell_volume [279.6201]
_cell_formula_units_Z [2]
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  4  0.0000  0.1675  0.5000  1.0
  Sc  Sc1  2  0.0000  0.5000  0.5000  1.0
  Nb  Nb2  4  0.0000  0.3335  0.0000  1.0
  W  W3  2  0.0000  0.0000  0.0000  1.0
  C  C4  8  0.2422  0.1639  0.2353  1.0
  C  C5  4  0.2491  0.0000  0.7648  1.0
]