data_[Hf6Au2C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P2_1/m]
_cell_length_a [7.2560]
_cell_length_b [3.3923]
_cell_length_c [7.8427]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2610]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Hf3AuC]
_chemical_formula_sum '[Hf6 Au2 C2]'
_cell_volume [184.3484]
_cell_formula_units_Z [2]
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  2  0.0392  0.2500  0.3472  1
  Hf  Hf1  2  0.3092  0.2500  0.9437  1
  Hf  Hf2  2  0.3782  0.7500  0.6318  1
  Au  Au3  2  0.2961  0.7500  0.2242  1
  C  C4  2  0.1728  0.2500  0.6441  1
]