data_[Hf6Te2]
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/m]
_cell_length_a [6.6158]
_cell_length_b [3.7971]
_cell_length_c [7.6968]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3135]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Hf3Te]
_chemical_formula_sum '[Hf6 Te2]'
_cell_volume [181.3253]
_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  2  0.0615  0.7500  0.8768  1.0
  Hf  Hf1  2  0.3003  0.7500  0.3888  1.0
  Hf  Hf2  2  0.4042  0.2500  0.1202  1.0
  Te  Te3  2  0.2439  0.2500  0.6680  1.0
]