# generated using pymatgen
data_LiTiV3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91641800
_cell_length_b   5.93751721
_cell_length_c   6.10442190
_cell_angle_alpha   91.21273654
_cell_angle_beta   118.92182444
_cell_angle_gamma   118.54645358
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTiV3O8
_chemical_formula_sum   'Li1 Ti1 V3 O8'
_cell_volume   155.75053925
_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  0.50000000  0.50000000  0.50000000  1
  Ti  Ti1  1  0.00000000  0.00000000  0.00000000  1
  V  V2  1  0.50000000  0.00000000  0.00000000  1
  V  V3  1  0.00000000  0.50000000  0.00000000  1
  V  V4  1  0.50000000  0.50000000  0.00000000  1
  O  O5  1  0.97304100  0.23645000  0.19922600  1
  O  O6  1  0.46342900  0.71302200  0.20114700  1
  O  O7  1  0.45735900  0.23663200  0.20028100  1
  O  O8  1  0.96887200  0.72797100  0.19476800  1
  O  O9  1  0.03112800  0.27202900  0.80523200  1
  O  O10  1  0.54264100  0.76336800  0.79971900  1
  O  O11  1  0.53657100  0.28697800  0.79885300  1
  O  O12  1  0.02695900  0.76355000  0.80077400  1
