data_[Hf8B2Te10]
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/m]
_cell_length_a [17.4417]
_cell_length_b [3.7254]
_cell_length_c [7.9567]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1321]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf4BTe5]
_chemical_formula_sum '[Hf8 B2 Te10]'
_cell_volume [505.4648]
_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  4  0.0013  0.0000  0.7957  1.0
  Hf  Hf1  4  0.1392  0.5000  0.0687  1.0
  B  B2  2  0.0000  0.5000  0.0000  1.0
  Te  Te3  4  0.1659  0.0000  0.3452  1.0
  Te  Te4  4  0.1724  0.0000  0.8173  1.0
  Te  Te5  2  0.0000  0.5000  0.5000  1.0
]