# generated using pymatgen
data_LiNdTi2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38743300
_cell_length_b   5.38743300
_cell_length_c   7.91891700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNdTi2O6
_chemical_formula_sum   'Li2 Nd2 Ti4 O12'
_cell_volume   229.84208643
_cell_formula_units_Z   2
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  0.00000000  0.50000000  0.00000000  1
  Li  Li1  1  0.50000000  0.00000000  0.00000000  1
  Nd  Nd2  1  0.00000000  0.50000000  0.50000000  1
  Nd  Nd3  1  0.50000000  0.00000000  0.50000000  1
  Ti  Ti4  1  0.00000000  0.00000000  0.23611800  1
  Ti  Ti5  1  0.00000000  0.00000000  0.76388200  1
  Ti  Ti6  1  0.50000000  0.50000000  0.23611800  1
  Ti  Ti7  1  0.50000000  0.50000000  0.76388200  1
  O  O8  1  0.00000000  0.00000000  0.00000000  1
  O  O9  1  0.00000000  0.00000000  0.50000000  1
  O  O10  1  0.19388700  0.69388700  0.74166300  1
  O  O11  1  0.19388700  0.30611300  0.25833700  1
  O  O12  1  0.30611300  0.80611300  0.25833700  1
  O  O13  1  0.30611300  0.19388700  0.74166300  1
  O  O14  1  0.50000000  0.50000000  0.00000000  1
  O  O15  1  0.50000000  0.50000000  0.50000000  1
  O  O16  1  0.69388700  0.80611300  0.74166300  1
  O  O17  1  0.69388700  0.19388700  0.25833700  1
  O  O18  1  0.80611300  0.69388700  0.25833700  1
  O  O19  1  0.80611300  0.30611300  0.74166300  1
