data_[Hf16Ge12W8C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  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 [9.7141]
_cell_length_b [5.6412]
_cell_length_c [13.4731]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9368]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf4Ge3W2C3]
_chemical_formula_sum '[Hf16 Ge12 W8 C12]'
_cell_volume [716.5720]
_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
[
  Hf  Hf0  8  0.1159  0.0801  0.5979  1
  Hf  Hf1  8  0.2157  0.0848  0.9022  1
  Ge  Ge2  8  0.1475  0.4349  0.7497  1
  Ge  Ge3  4  0.0000  0.1278  0.2500  1
  W  W4  8  0.0593  0.4138  0.4178  1
  C  C5  8  0.0830  0.2509  0.0000  1
  C  C6  4  0.2500  0.2500  0.5000  1
]