data_[Hf16Bi4Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.5889]
_cell_length_b [20.5352]
_cell_length_c [5.4697]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.4136]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf4BiTe]
_chemical_formula_sum '[Hf16 Bi4 Te4]'
_cell_volume [648.9940]
_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  8  0.1254  0.7297  0.1313  1
  Hf  Hf1  8  0.2285  0.0296  0.5974  1
  Bi  Bi2  4  0.0000  0.4032  0.7500  1
  Te  Te3  4  0.0000  0.1522  0.2500  1
]