data_[Li3Zr1Nb1Te2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Zr  1.3300  1.5500  0.8600
  Nb  1.6000  1.4500  0.8200
  Te  2.1000  1.4000  1.2933
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2013]
_cell_length_b [5.5364]
_cell_length_c [7.6261]
_cell_angle_alpha [85.4494]
_cell_angle_beta [89.7605]
_cell_angle_gamma [89.9433]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li3ZrNb(TeO6)2]
_chemical_formula_sum '[Li3 Zr1 Nb1 Te2 O12]'
_cell_volume [218.9091]
_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
[
  Li  Li0  1  0.0030  0.4101  0.2074  1.0
  Li  Li1  1  0.4982  0.9339  0.7166  1.0
  Li  Li2  1  0.9988  0.4446  0.7280  1.0
  Zr  Zr3  1  0.9995  0.9879  0.0088  1.0
  Nb  Nb4  1  0.4984  0.5103  0.4884  1.0
  Te  Te5  1  0.4972  0.5020  0.9962  1.0
  Te  Te6  1  0.9990  0.0066  0.5048  1.0
  O  O7  1  0.1267  0.0243  0.7399  1.0
  O  O8  1  0.1846  0.3204  0.4479  1.0
  O  O9  1  0.1964  0.6727  0.0711  1.0
  O  O10  1  0.3058  0.8187  0.4559  1.0
  O  O11  1  0.3091  0.2139  0.0609  1.0
  O  O12  1  0.3794  0.5167  0.7528  1.0
  O  O13  1  0.6267  0.5109  0.2489  1.0
  O  O14  1  0.6656  0.8087  0.9391  1.0
  O  O15  1  0.7038  0.2054  0.5743  1.0
  O  O16  1  0.8082  0.7106  0.5707  1.0
  O  O17  1  0.8084  0.3330  0.9494  1.0
  O  O18  1  0.8912  0.0291  0.2687  1.0
]