data_[Hf1Te4Cl6]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.3405]
_cell_length_b [7.3883]
_cell_length_c [7.8723]
_cell_angle_alpha [76.1976]
_cell_angle_beta [75.1046]
_cell_angle_gamma [79.2104]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Hf(Te2Cl3)2]
_chemical_formula_sum '[Hf1 Te4 Cl6]'
_cell_volume [397.0658]
_cell_formula_units_Z [1]
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  0.0000  0.0000  0.0000  1.0
  Te  Te1  2  0.3102  0.7064  0.5623  1.0
  Te  Te2  2  0.3915  0.5002  0.3033  1.0
  Cl  Cl3  2  0.0027  0.7852  0.2961  1.0
  Cl  Cl4  2  0.1112  0.2380  0.0995  1.0
  Cl  Cl5  2  0.3357  0.8749  0.8808  1.0
]