data_[Sc6Ta4W2C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ta  1.5000  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 [5.5069]
_cell_length_b [9.5288]
_cell_length_c [5.6111]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1585]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc3Ta2WC6]
_chemical_formula_sum '[Sc6 Ta4 W2 C12]'
_cell_volume [278.1281]
_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  0.1670  0.5000  1.0
  Sc  Sc1  2  0.0000  0.5000  0.5000  1.0
  Ta  Ta2  4  0.0000  0.3334  0.0000  1.0
  W  W3  2  0.0000  0.0000  0.0000  1.0
  C  C4  8  0.2428  0.1650  0.2339  1.0
  C  C5  4  0.2483  0.5000  0.2338  1.0
]