data_[Hf4Si4Te16]
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 [Cmc2_1]
_cell_length_a [3.9908]
_cell_length_b [16.9388]
_cell_length_c [10.9535]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [HfSiTe4]
_chemical_formula_sum '[Hf4 Si4 Te16]'
_cell_volume [740.4470]
_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  0.0000  0.3413  0.2747  1.0
  Si  Si1  4  0.0000  0.2319  0.4637  1.0
  Te  Te2  4  0.0000  0.0315  0.7400  1.0
  Te  Te3  4  0.0000  0.1089  0.9631  1.0
  Te  Te4  4  0.0000  0.2774  0.6943  1.0
  Te  Te5  4  0.0000  0.3693  0.9963  1.0
]