data_[Hf2Si2Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Si  1.9000  1.1000  0.5400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [13.8043]
_cell_length_b [3.8286]
_cell_length_c [18.6117]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [HfSiTe4]
_chemical_formula_sum '[Hf2 Si2 Te8]'
_cell_volume [983.6506]
_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  0.1202  0.7500  0.4924  1
  Si  Si1  2  0.3821  0.2500  0.5001  1
  Te  Te2  2  0.0503  0.2500  0.5970  1
  Te  Te3  2  0.2158  0.2500  0.4035  1
  Te  Te4  2  0.2967  0.7500  0.5829  1
  Te  Te5  2  0.4604  0.7500  0.4136  1
]