# generated using pymatgen
data_LiTiP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.40109400
_cell_length_b   6.52240048
_cell_length_c   6.83566430
_cell_angle_alpha   82.78797596
_cell_angle_beta   66.81232554
_cell_angle_gamma   80.38105447
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTiP2O7
_chemical_formula_sum   'Li2 Ti2 P4 O14'
_cell_volume   258.08745928
_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  0.69188300  0.08225800  0.84317600  1
  Li  Li1  1  0.30811700  0.91774200  0.15682400  1
  Ti  Ti2  1  0.90703200  0.34873500  0.21951600  1
  Ti  Ti3  1  0.09296800  0.65126500  0.78048400  1
  P  P4  1  0.21837100  0.13465100  0.76726900  1
  P  P5  1  0.35128700  0.39587300  0.34742300  1
  P  P6  1  0.64871300  0.60412700  0.65257700  1
  P  P7  1  0.78162900  0.86534900  0.23273100  1
  O  O8  1  0.93316800  0.01884600  0.24531800  1
  O  O9  1  0.38973200  0.04406500  0.86414900  1
  O  O10  1  0.36404000  0.21680400  0.52827500  1
  O  O11  1  0.20819200  0.32390200  0.24073000  1
  O  O12  1  0.06216000  0.33246600  0.87978000  1
  O  O13  1  0.60196900  0.39586300  0.19442100  1
  O  O14  1  0.75348000  0.39618500  0.54899400  1
  O  O15  1  0.24652000  0.60381500  0.45100600  1
  O  O16  1  0.39803100  0.60413700  0.80557900  1
  O  O17  1  0.93784000  0.66753400  0.12022000  1
  O  O18  1  0.79180800  0.67609800  0.75927000  1
  O  O19  1  0.63596000  0.78319600  0.47172500  1
  O  O20  1  0.61026800  0.95593500  0.13585100  1
  O  O21  1  0.06683200  0.98115400  0.75468200  1
