data_[Sc4W4C6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  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 [10.9977]
_cell_length_b [3.1893]
_cell_length_c [5.4759]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6944]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc2W2C3]
_chemical_formula_sum '[Sc4 W4 C6]'
_cell_volume [182.9814]
_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  0.1168  0.5000  0.8434  1.0
  W  W1  4  0.1471  0.0000  0.3356  1.0
  C  C2  4  0.2471  0.0000  0.7443  1.0
  C  C3  2  0.0000  0.0000  0.0000  1.0
]