data_[Hf8Ta16Zn12C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ta  1.5000  1.4500  0.8200
  Zn  1.6500  1.3500  0.8800
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.4779]
_cell_length_b [5.4649]
_cell_length_c [14.2319]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0311]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf2Ta4(ZnC)3]
_chemical_formula_sum '[Hf8 Ta16 Zn12 C12]'
_cell_volume [718.1681]
_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  0.0462  0.4189  0.8983  1
  Ta  Ta1  8  0.1117  0.0889  0.0839  1
  Ta  Ta2  8  0.2242  0.9193  0.9161  1
  Zn  Zn3  8  0.2250  0.3598  0.2514  1
  Zn  Zn4  4  0.0000  0.0327  0.2500  1
  C  C5  8  0.0829  0.2515  0.5000  1
  C  C6  4  0.2500  0.2500  0.0000  1
]