data_[Hf16Sb2Te4]
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 [C2/m]
_cell_length_a [7.9631]
_cell_length_b [12.6684]
_cell_length_c [5.3801]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8627]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf8SbTe2]
_chemical_formula_sum '[Hf16 Sb2 Te4]'
_cell_volume [503.7103]
_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  8  0.2048  0.1128  0.1160  1
  Hf  Hf1  4  0.0000  0.2335  0.5000  1
  Hf  Hf2  4  0.1051  0.5000  0.3306  1
  Sb  Sb3  2  0.0000  0.0000  0.5000  1
  Te  Te4  4  0.0000  0.3083  0.0000  1
]