data_[Sc8Ge12W16C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ge  2.0100  1.2500  0.7700
  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 [9.5138]
_cell_length_b [5.5232]
_cell_length_c [13.3253]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8014]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sc2Ge3W4C3]
_chemical_formula_sum '[Sc8 Ge12 W16 C12]'
_cell_volume [679.9872]
_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  0.0465  0.4184  0.3944  1
  Ge  Ge1  8  0.1897  0.3973  0.7496  1
  Ge  Ge2  4  0.0000  0.0332  0.2500  1
  W  W3  8  0.1096  0.0912  0.5822  1
  W  W4  8  0.2267  0.0787  0.9177  1
  C  C5  8  0.0840  0.2497  0.0002  1
  C  C6  4  0.2500  0.2500  0.5000  1
]