data_[Hf8Bi8Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.1229]
_cell_length_b [5.9325]
_cell_length_c [12.3404]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Hf2Bi2Te]
_chemical_formula_sum '[Hf8 Bi8 Te4]'
_cell_volume [594.6654]
_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  0.1041  0.2500  0.7570  1
  Hf  Hf1  4  0.1260  0.2500  0.0805  1
  Bi  Bi2  4  0.1133  0.7500  0.7462  1
  Bi  Bi3  4  0.1634  0.7500  0.0674  1
  Te  Te4  4  0.1361  0.7500  0.4118  1
]