data_[Na1B1Te1H6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  B  2.0400  0.8500  0.4100
  Te  2.1000  1.4000  1.2933
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.5801]
_cell_length_b [4.6261]
_cell_length_c [6.9866]
_cell_angle_alpha [80.9423]
_cell_angle_beta [72.9265]
_cell_angle_gamma [66.3674]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NaBTeH6]
_chemical_formula_sum '[Na1 B1 Te1 H6]'
_cell_volume [129.5081]
_cell_formula_units_Z [1]
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
[
  Na  Na0  1  0.7778  0.9874  0.5125  1.0
  B  B1  1  0.4235  0.6466  0.5043  1.0
  Te  Te2  1  0.7656  0.0712  0.9990  1.0
  H  H3  1  0.2836  0.4582  0.5427  1.0
  H  H4  1  0.3364  0.8313  0.3658  1.0
  H  H5  1  0.3530  0.7916  0.6555  1.0
  H  H6  1  0.4141  0.3647  0.1009  1.0
  H  H7  1  0.7242  0.5113  0.4497  1.0
  H  H8  1  0.9221  0.3378  0.8693  1.0
]