data_[Hf16B4Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  B  2.0400  0.8500  0.4100
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.6053]
_cell_length_b [13.0158]
_cell_length_c [5.8724]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.4492]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf4BTe]
_chemical_formula_sum '[Hf16 B4 Te4]'
_cell_volume [501.1289]
_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  0.1204  0.2093  0.1185  1
  Hf  Hf1  8  0.2060  0.9427  0.2026  1
  B  B2  4  0.0000  0.0679  0.2500  1
  Te  Te3  4  0.0000  0.3947  0.7500  1
]