data_[Hf24Te24As8]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [I4_132]
_cell_length_a [11.2333]
_cell_length_b [11.2333]
_cell_length_c [11.2333]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [214]
_chemical_formula_structural [Hf3Te3As]
_chemical_formula_sum '[Hf24 Te24 As8]'
_cell_volume [1417.4889]
_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  24  0.1098  0.3598  0.1250  1
  Te  Te1  24  0.1177  0.1323  0.6250  1
  As  As2  8  0.1250  0.1250  0.1250  1
]