data_[Hf8Al12W16C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Al  1.6100  1.2500  0.6750
  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 [9.3047]
_cell_length_b [5.3822]
_cell_length_c [13.9466]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2580]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf2Al3W4C3]
_chemical_formula_sum '[Hf8 Al12 W16 C12]'
_cell_volume [679.8290]
_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  0.0451  0.4171  0.3886  1
  Al  Al1  8  0.2364  0.3492  0.7502  1
  Al  Al2  4  0.0000  0.0587  0.7500  1
  W  W3  8  0.1095  0.0881  0.5808  1
  W  W4  8  0.2255  0.0818  0.9193  1
  C  C5  8  0.0811  0.2574  1.0000  1
  C  C6  4  0.2500  0.2500  0.5000  1
]