data_[Li8Nb8Te24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Nb  1.6000  1.4500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.0317]
_cell_length_b [13.5665]
_cell_length_c [6.3484]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.2613]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiNbTe3]
_chemical_formula_sum '[Li8 Nb8 Te24]'
_cell_volume [1031.1256]
_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
[
  Li  Li0  8  0.1049  0.4200  0.1901  1
  Nb  Nb1  4  0.0000  0.0583  0.2500  1
  Nb  Nb2  4  0.0000  0.1778  0.7500  1
  Te  Te3  8  0.1066  0.3624  0.6809  1
  Te  Te4  8  0.1426  0.2075  0.2051  1
  Te  Te5  8  0.1630  0.0671  0.7093  1
]