data_[Hf16Te8]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.2559]
_cell_length_b [3.7578]
_cell_length_c [10.1238]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7926]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf2Te]
_chemical_formula_sum '[Hf16 Te8]'
_cell_volume [580.3297]
_cell_formula_units_Z [8]
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  0.0882  0.0000  0.4219  1.0
  Hf  Hf1  4  0.0889  0.5000  0.6563  1.0
  Hf  Hf2  4  0.2203  0.0000  0.1281  1.0
  Hf  Hf3  4  0.2500  0.5000  0.3827  1.0
  Te  Te4  4  0.0814  0.5000  0.1956  1.0
  Te  Te5  4  0.1329  0.0000  0.8700  1.0
]