# generated using pymatgen
data_LiTiNbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.10345753
_cell_length_b   6.10345753
_cell_length_c   6.10345753
_cell_angle_alpha   120.42517101
_cell_angle_beta   119.86302091
_cell_angle_gamma   89.75129158
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTiNbO4
_chemical_formula_sum   'Li2 Ti2 Nb2 O8'
_cell_volume   160.41622265
_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  0.12411300  0.37411300  0.75000000  1.0
  Li  Li1  1  0.87588700  0.62588700  0.25000000  1.0
  Ti  Ti2  1  0.00000000  0.00000000  0.00000000  1.0
  Ti  Ti3  1  0.50000000  0.00000000  0.50000000  1.0
  Nb  Nb4  1  0.50000000  0.00000000  0.00000000  1.0
  Nb  Nb5  1  0.50000000  0.50000000  0.50000000  1.0
  O  O6  1  0.25830400  0.78561900  0.02731500  1.0
  O  O7  1  0.24785000  0.23662500  0.01122500  1.0
  O  O8  1  0.72540000  0.23662500  0.48877500  1.0
  O  O9  1  0.25830400  0.23098900  0.47268500  1.0
  O  O10  1  0.74169600  0.76901100  0.52731500  1.0
  O  O11  1  0.75215100  0.76337500  0.98877500  1.0
  O  O12  1  0.27460000  0.76337500  0.51122500  1.0
  O  O13  1  0.74169600  0.21438100  0.97268500  1.0