data_[Hf8Sb6Te2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.3759]
_cell_length_b [10.7548]
_cell_length_c [6.6169]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Hf4Sb3Te]
_chemical_formula_sum '[Hf8 Sb6 Te2]'
_cell_volume [382.5679]
_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  0.2507  0.8594  1
  Hf  Hf1  2  0.0000  0.0000  0.1413  1
  Hf  Hf2  2  0.0000  0.5000  0.1426  1
  Sb  Sb3  4  0.0000  0.2496  0.3172  1
  Sb  Sb4  2  0.0000  0.5000  0.6848  1
  Te  Te5  2  0.0000  0.0000  0.6886  1
]