data_[Y16Hf8Au12C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Hf  1.3000  1.5500  0.8500
  Au  2.5400  1.3500  1.0700
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.6630]
_cell_length_b [6.1715]
_cell_length_c [14.4978]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8205]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y4Hf2(AuC)3]
_chemical_formula_sum '[Y16 Hf8 Au12 C12]'
_cell_volume [926.4429]
_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
[
  Y  Y0  8  0.1163  0.0745  0.1029  1
  Y  Y1  8  0.2121  0.0883  0.3974  1
  Hf  Hf2  8  0.0633  0.4104  0.9215  1
  Au  Au3  8  0.1400  0.4450  0.2501  1
  Au  Au4  4  0.0000  0.1400  0.7500  1
  C  C5  8  0.0748  0.2748  0.4996  1
  C  C6  4  0.2500  0.2500  0.0000  1
]