data_[Hf2Te2F6]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.3475]
_cell_length_b [5.8636]
_cell_length_c [5.9517]
_cell_angle_alpha [77.7684]
_cell_angle_beta [89.2336]
_cell_angle_gamma [85.4322]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [HfTeF3]
_chemical_formula_sum '[Hf2 Te2 F6]'
_cell_volume [181.8039]
_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  1  0.1530  0.7922  0.6443  1
  Hf  Hf1  1  0.6950  0.6025  0.1910  1
  Te  Te2  1  0.2844  0.2156  0.8062  1
  Te  Te3  1  0.9522  0.1296  0.1684  1
  F  F4  1  0.4442  0.7689  0.4077  1
  F  F5  1  0.4756  0.6859  0.9071  1
  F  F6  1  0.4877  0.3614  0.3372  1
  F  F7  1  0.8174  0.9437  0.6371  1
  F  F8  1  0.9492  0.6041  0.4414  1
  F  F9  1  0.9975  0.6598  0.9673  1
]