data_[Sc16Tl12W8C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Tl  1.6200  1.9000  1.3325
  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 [9.8670]
_cell_length_b [5.7290]
_cell_length_c [14.8792]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0786]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sc4Tl3W2C3]
_chemical_formula_sum '[Sc16 Tl12 W8 C12]'
_cell_volume [819.2707]
_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  0.1122  0.0713  0.0854  1
  Sc  Sc1  8  0.2154  0.0901  0.4145  1
  Tl  Tl2  8  0.1554  0.4261  0.2474  1
  Tl  Tl3  4  0.0000  0.1071  0.7500  1
  W  W4  8  0.0660  0.5886  0.4320  1
  C  C5  8  0.0787  0.2639  0.5000  1
  C  C6  4  0.2500  0.2500  0.0000  1
]