# generated using pymatgen
data_LiTiP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.01056700
_cell_length_b   7.29385900
_cell_length_c   9.68414640
_cell_angle_alpha   69.44121122
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTiP2O7
_chemical_formula_sum   'Li4 Ti4 P8 O28'
_cell_volume   529.78874146
_cell_formula_units_Z   4
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  0.97805400  0.70324500  0.78502100  1
  Li  Li1  1  0.52194600  0.70324500  0.28502100  1
  Li  Li2  1  0.47805400  0.29675500  0.71497900  1
  Li  Li3  1  0.02194600  0.29675500  0.21497900  1
  Ti  Ti4  1  0.50641400  0.73879000  0.74759100  1
  Ti  Ti5  1  0.99358600  0.73879000  0.24759100  1
  Ti  Ti6  1  0.00641400  0.26121000  0.75240900  1
  Ti  Ti7  1  0.49358600  0.26121000  0.25240900  1
  P  P8  1  0.75863000  0.91843700  0.95595000  1
  P  P9  1  0.74137000  0.91843700  0.45595000  1
  P  P10  1  0.21188000  0.66952600  0.54844600  1
  P  P11  1  0.71188000  0.33047400  0.95155400  1
  P  P12  1  0.28812000  0.66952600  0.04844600  1
  P  P13  1  0.78812000  0.33047400  0.45155400  1
  P  P14  1  0.25863000  0.08156300  0.54405000  1
  P  P15  1  0.24137000  0.08156300  0.04405000  1
  O  O16  1  0.91967100  0.96766100  0.86334300  1
  O  O17  1  0.63290400  0.80814700  0.89867400  1
  O  O18  1  0.58032900  0.96766100  0.36334300  1
  O  O19  1  0.16478400  0.87715900  0.56499800  1
  O  O20  1  0.29997700  0.68858000  0.88636000  1
  O  O21  1  0.71439300  0.81344700  0.62204900  1
  O  O22  1  0.86709600  0.80814700  0.39867400  1
  O  O23  1  0.39105900  0.61471900  0.60576600  1
  O  O24  1  0.33521600  0.87715900  0.06499800  1
  O  O25  1  0.57925400  0.45617300  0.84612900  1
  O  O26  1  0.20002300  0.68858000  0.38636000  1
  O  O27  1  0.78560700  0.81344700  0.12204900  1
  O  O28  1  0.07925400  0.54382700  0.65387100  1
  O  O29  1  0.89105900  0.38528100  0.89423400  1
  O  O30  1  0.10894100  0.61471900  0.10576600  1
  O  O31  1  0.92074600  0.45617300  0.34612900  1
  O  O32  1  0.21439300  0.18655300  0.87795100  1
  O  O33  1  0.79997700  0.31142000  0.61364000  1
  O  O34  1  0.42074600  0.54382700  0.15387100  1
  O  O35  1  0.66478400  0.12284100  0.93500200  1
  O  O36  1  0.60894100  0.38528100  0.39423400  1
  O  O37  1  0.13290400  0.19185300  0.60132600  1
  O  O38  1  0.28560700  0.18655300  0.37795100  1
  O  O39  1  0.70002300  0.31142000  0.11364000  1
  O  O40  1  0.83521600  0.12284100  0.43500200  1
  O  O41  1  0.41967100  0.03233900  0.63665700  1
  O  O42  1  0.36709600  0.19185300  0.10132600  1
  O  O43  1  0.08032900  0.03233900  0.13665700  1
