data_[Hf8Ni8Te16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ni  1.9100  1.3500  0.7400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [8.0456]
_cell_length_b [15.4917]
_cell_length_c [6.6646]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [HfNiTe2]
_chemical_formula_sum '[Hf8 Ni8 Te16]'
_cell_volume [830.6784]
_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  8  0.2102  0.0000  0.5000  1.0
  Ni  Ni1  8  0.0000  0.0560  0.8528  1.0
  Te  Te2  8  0.0000  0.1049  0.2401  1.0
  Te  Te3  8  0.2500  0.1519  0.7500  1.0
]