# generated using pymatgen
data_LiTiP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94864600
_cell_length_b   7.04787934
_cell_length_c   8.28810600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.85795323
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTiP2O7
_chemical_formula_sum   'Li2 Ti2 P4 O14'
_cell_volume   273.55172295
_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  0.80661600  0.32115500  0.30486800  1
  Li  Li1  1  0.19338400  0.67884500  0.80486800  1
  Ti  Ti2  1  0.20893000  0.72784100  0.44114900  1
  Ti  Ti3  1  0.79107000  0.27215900  0.94114900  1
  P  P4  1  0.59608000  0.47487700  0.62276700  1
  P  P5  1  0.40392000  0.52512300  0.12276700  1
  P  P6  1  0.78410700  0.91786800  0.23060600  1
  P  P7  1  0.21589300  0.08213200  0.73060600  1
  O  O8  1  0.39876500  0.07789000  0.87842200  1
  O  O9  1  0.19856100  0.49005900  0.97925000  1
  O  O10  1  0.80143900  0.50994100  0.47925000  1
  O  O11  1  0.24835600  0.50829600  0.28505500  1
  O  O12  1  0.60123500  0.92211000  0.37842200  1
  O  O13  1  0.60077900  0.75684800  0.09884200  1
  O  O14  1  0.13222200  0.88139800  0.64167700  1
  O  O15  1  0.86777800  0.11860200  0.14167700  1
  O  O16  1  0.39751000  0.60293600  0.61910200  1
  O  O17  1  0.39922100  0.24315200  0.59884200  1
  O  O18  1  0.95707900  0.14443200  0.77491700  1
  O  O19  1  0.04292100  0.85556800  0.27491700  1
  O  O20  1  0.75164400  0.49170400  0.78505500  1
  O  O21  1  0.60249000  0.39706400  0.11910200  1
