data_[Hf4Te4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Te  2.1000  1.4000  1.2933
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.8388]
_cell_length_b [3.8388]
_cell_length_c [24.0523]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [HfTeAu]
_chemical_formula_sum '[Hf4 Te4 Au4]'
_cell_volume [306.9639]
_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  2  0.3333  0.6667  0.1086  1
  Hf  Hf1  2  0.3333  0.6667  0.6510  1
  Te  Te2  2  0.3333  0.6667  0.2697  1
  Te  Te3  2  0.3333  0.6667  0.4246  1
  Au  Au4  2  0.3333  0.6667  0.8203  1
  Au  Au5  2  0.3333  0.6667  0.9616  1
]