data_[Hf4Te8]
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 [P2_1/c]
_cell_length_a [6.7460]
_cell_length_b [7.3216]
_cell_length_c [6.9990]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.7921]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [HfTe2]
_chemical_formula_sum '[Hf4 Te8]'
_cell_volume [343.2621]
_cell_formula_units_Z [4]
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  0.2882  0.0562  0.1890  1
  Te  Te1  4  0.0941  0.1132  0.7925  1
  Te  Te2  4  0.4189  0.7174  0.0066  1
]