data_[Li4Ti1Te3O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ti  1.5400  1.4000  0.8517
  Te  2.1000  1.4000  1.2933
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2]
_cell_length_a [5.0615]
_cell_length_b [8.8295]
_cell_length_c [5.2024]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.9345]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [3]
_chemical_formula_structural [Li4Ti(TeO4)3]
_chemical_formula_sum '[Li4 Ti1 Te3 O12]'
_cell_volume [231.9495]
_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  0.0000  0.3027  0.5000  1.0
  Li  Li1  1  0.0000  0.6950  0.0000  1.0
  Li  Li2  1  0.5000  0.1638  0.5000  1.0
  Li  Li3  1  0.5000  0.8686  0.0000  1.0
  Ti  Ti4  1  0.0000  0.1053  0.0000  1.0
  Te  Te5  1  0.0000  0.9212  0.5000  1.0
  Te  Te6  1  0.5000  0.4014  0.0000  1.0
  Te  Te7  1  0.5000  0.6024  0.5000  1.0
  O  O8  2  0.1963  0.0892  0.6847  1.0
  O  O9  2  0.2108  0.9434  0.2009  1.0
  O  O10  2  0.2161  0.7742  0.6894  1.0
  O  O11  2  0.2660  0.2514  0.1350  1.0
  O  O12  2  0.2834  0.5603  0.1468  1.0
  O  O13  2  0.2969  0.4218  0.6659  1.0
]