data_[Hf8Bi6Te2]
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 [Pmmn]
_cell_length_a [5.3456]
_cell_length_b [10.7082]
_cell_length_c [7.4572]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Hf4Bi3Te]
_chemical_formula_sum '[Hf8 Bi6 Te2]'
_cell_volume [426.8597]
_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  4  0.0000  0.2483  0.1135  1.0
  Hf  Hf1  2  0.0000  0.0000  0.8792  1.0
  Hf  Hf2  2  0.0000  0.5000  0.8844  1.0
  Bi  Bi3  4  0.0000  0.2495  0.6894  1.0
  Bi  Bi4  2  0.0000  0.5000  0.3087  1.0
  Te  Te5  2  0.0000  0.0000  0.2808  1.0
]