data_[Li4Nb1Te3O12]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2626]
_cell_length_b [5.6653]
_cell_length_c [7.7247]
_cell_angle_alpha [84.5161]
_cell_angle_beta [89.6859]
_cell_angle_gamma [89.8672]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li4Nb(TeO4)3]
_chemical_formula_sum '[Li4 Nb1 Te3 O12]'
_cell_volume [229.2480]
_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  0.0035  0.4349  0.7208  1.0
  Li  Li1  1  0.5013  0.9299  0.2122  1.0
  Li  Li2  1  0.5019  0.9106  0.7097  1.0
  Li  Li3  1  0.9946  0.4083  0.2015  1.0
  Nb  Nb4  1  0.9996  0.9837  0.9920  1.0
  Te  Te5  1  0.4999  0.4862  0.4951  1.0
  Te  Te6  1  0.5029  0.4789  0.9987  1.0
  Te  Te7  1  0.9996  0.0002  0.4967  1.0
  O  O8  1  0.1301  0.0195  0.7467  1.0
  O  O9  1  0.1545  0.3204  0.4437  1.0
  O  O10  1  0.1738  0.7033  0.0771  1.0
  O  O11  1  0.3085  0.1931  0.0751  1.0
  O  O12  1  0.3171  0.8510  0.4441  1.0
  O  O13  1  0.3767  0.5163  0.7520  1.0
  O  O14  1  0.6266  0.5213  0.2448  1.0
  O  O15  1  0.6823  0.8497  0.9446  1.0
  O  O16  1  0.7033  0.1810  0.5820  1.0
  O  O17  1  0.8244  0.7120  0.5815  1.0
  O  O18  1  0.8316  0.3312  0.9498  1.0
  O  O19  1  0.8677  0.0260  0.2607  1.0
]