data_[Li1La3Ti3Cr1O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  La  1.1000  1.9500  1.1720
  Ti  1.5400  1.4000  0.8517
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.5226]
_cell_length_b [5.5412]
_cell_length_c [7.8370]
_cell_angle_alpha [90.0919]
_cell_angle_beta [90.0534]
_cell_angle_gamma [90.3377]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiLa3Ti3CrO12]
_chemical_formula_sum '[Li1 La3 Ti3 Cr1 O12]'
_cell_volume [239.8199]
_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  0.0288  0.9706  0.2589  1.0
  La  La1  1  0.4931  0.5326  0.2537  1.0
  La  La2  1  0.5023  0.4715  0.7484  1.0
  La  La3  1  0.9914  0.9731  0.7464  1.0
  Ti  Ti4  1  0.5010  0.0041  0.0132  1.0
  Ti  Ti5  1  0.9994  0.4971  0.4904  1.0
  Ti  Ti6  1  0.9996  0.4988  0.0068  1.0
  Cr  Cr7  1  0.4981  0.0031  0.4952  1.0
  O  O8  1  0.0668  0.5243  0.7492  1.0
  O  O9  1  0.2094  0.7848  0.4508  1.0
  O  O10  1  0.2182  0.7838  0.0464  1.0
  O  O11  1  0.2871  0.2954  0.4728  1.0
  O  O12  1  0.2880  0.2899  0.0268  1.0
  O  O13  1  0.4226  0.0017  0.7497  1.0
  O  O14  1  0.5850  0.9978  0.2470  1.0
  O  O15  1  0.7137  0.7160  0.5331  1.0
  O  O16  1  0.7166  0.7207  0.9646  1.0
  O  O17  1  0.7726  0.2294  0.9485  1.0
  O  O18  1  0.7755  0.2303  0.5490  1.0
  O  O19  1  0.9310  0.4750  0.2490  1.0
]