data_[Li1Ti3Nb1Cu3O12]
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
  Nb  1.6000  1.4500  0.8200
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.4592]
_cell_length_b [6.4971]
_cell_length_c [6.4996]
_cell_angle_alpha [109.2871]
_cell_angle_beta [109.3278]
_cell_angle_gamma [109.3363]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiTi3Nb(CuO4)3]
_chemical_formula_sum '[Li1 Ti3 Nb1 Cu3 O12]'
_cell_volume [211.1650]
_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  0.0702  0.1082  0.1219  1.0
  Ti  Ti1  1  0.0144  0.0210  0.5207  1.0
  Ti  Ti2  1  0.5294  0.5280  0.5229  1.0
  Ti  Ti3  1  0.9978  0.5160  0.0169  1.0
  Nb  Nb4  1  0.4984  0.0073  0.9986  1.0
  Cu  Cu5  1  0.0011  0.4986  0.4954  1.0
  Cu  Cu6  1  0.4964  0.5028  0.0016  1.0
  Cu  Cu7  1  0.4971  0.0048  0.4964  1.0
  O  O8  1  0.1254  0.3061  0.8171  1.0
  O  O9  1  0.1759  0.4825  0.2986  1.0
  O  O10  1  0.1760  0.8678  0.6831  1.0
  O  O11  1  0.3000  0.1800  0.4792  1.0
  O  O12  1  0.3025  0.8214  0.1268  1.0
  O  O13  1  0.4769  0.3062  0.1780  1.0
  O  O14  1  0.5097  0.6890  0.8176  1.0
  O  O15  1  0.6883  0.8230  0.5086  1.0
  O  O16  1  0.6898  0.1827  0.8664  1.0
  O  O17  1  0.8193  0.5106  0.6853  1.0
  O  O18  1  0.8254  0.1267  0.2997  1.0
  O  O19  1  0.8670  0.6891  0.1762  1.0
]