data_[Hf4Te12Au4]
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 [C2/m]
_cell_length_a [16.1746]
_cell_length_b [4.2001]
_cell_length_c [8.3071]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.3600]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HfTe3Au]
_chemical_formula_sum '[Hf4 Te12 Au4]'
_cell_volume [563.3764]
_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  4  0.2102  0.0000  0.2442  1
  Te  Te1  4  0.0312  0.0000  0.2175  1
  Te  Te2  4  0.1615  0.5000  0.0187  1
  Te  Te3  4  0.1765  0.0000  0.5908  1
  Au  Au4  4  0.0522  0.5000  0.6535  1
]