data_[Ti8Ge12W16C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  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 [9.4634]
_cell_length_b [5.4902]
_cell_length_c [12.7899]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2518]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ti2Ge3W4C3]
_chemical_formula_sum '[Ti8 Ge12 W16 C12]'
_cell_volume [644.0600]
_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
[
  Ti  Ti0  8  0.0521  0.4163  0.4038  1
  Ge  Ge1  8  0.1693  0.4140  0.7492  1
  Ge  Ge2  4  0.0000  0.0770  0.2500  1
  W  W3  8  0.1118  0.0852  0.5874  1
  W  W4  8  0.2222  0.0834  0.9127  1
  C  C5  8  0.0809  0.2569  0.9999  1
  C  C6  4  0.2500  0.2500  0.5000  1
]