# generated using pymatgen
data_LiTiP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.36771500
_cell_length_b   7.07354800
_cell_length_c   8.06698018
_cell_angle_alpha   66.99719346
_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   544.56333477
_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  0.83483900  0.63844500  0.92503100  1
  Li  Li1  1  0.66516100  0.63844500  0.42503100  1
  Li  Li2  1  0.33483900  0.36155500  0.57496900  1
  Li  Li3  1  0.16516100  0.36155500  0.07496900  1
  Ti  Ti4  1  0.39171100  0.72778500  0.74796200  1
  Ti  Ti5  1  0.10828900  0.72778500  0.24796200  1
  Ti  Ti6  1  0.89171100  0.27221500  0.75203800  1
  Ti  Ti7  1  0.60828900  0.27221500  0.25203800  1
  P  P8  1  0.15171300  0.97825600  0.79156000  1
  P  P9  1  0.34828700  0.97825600  0.29156000  1
  P  P10  1  0.09212900  0.63560500  0.69559700  1
  P  P11  1  0.40787100  0.63560500  0.19559700  1
  P  P12  1  0.59212900  0.36439500  0.80440300  1
  P  P13  1  0.90787100  0.36439500  0.30440300  1
  P  P14  1  0.65171300  0.02174400  0.70844000  1
  P  P15  1  0.84828700  0.02174400  0.20844000  1
  O  O16  1  0.29302200  0.01150300  0.73059400  1
  O  O17  1  0.13411800  0.82662500  0.98771700  1
  O  O18  1  0.58004300  0.82185300  0.74698900  1
  O  O19  1  0.07926900  0.87264800  0.66988000  1
  O  O20  1  0.20697800  0.01150300  0.23059400  1
  O  O21  1  0.36588200  0.82662500  0.48771700  1
  O  O22  1  0.39555300  0.63270000  0.00894600  1
  O  O23  1  0.91995700  0.82185300  0.24698900  1
  O  O24  1  0.42073100  0.87264800  0.16988000  1
  O  O25  1  0.21317000  0.54692900  0.80970900  1
  O  O26  1  0.10444700  0.63270000  0.50894600  1
  O  O27  1  0.46688500  0.46684100  0.71043500  1
  O  O28  1  0.96688500  0.53315900  0.78956500  1
  O  O29  1  0.28683000  0.54692900  0.30970900  1
  O  O30  1  0.71317000  0.45307100  0.69029100  1
  O  O31  1  0.03311500  0.46684100  0.21043500  1
  O  O32  1  0.53311500  0.53315900  0.28956500  1
  O  O33  1  0.89555300  0.36730000  0.49105400  1
  O  O34  1  0.78683000  0.45307100  0.19029100  1
  O  O35  1  0.57926900  0.12735200  0.83012000  1
  O  O36  1  0.08004300  0.17814700  0.75301100  1
  O  O37  1  0.60444700  0.36730000  0.99105400  1
  O  O38  1  0.63411800  0.17337500  0.51228300  1
  O  O39  1  0.79302200  0.98849700  0.76940600  1
  O  O40  1  0.92073100  0.12735200  0.33012000  1
  O  O41  1  0.41995700  0.17814700  0.25301100  1
  O  O42  1  0.86588200  0.17337500  0.01228300  1
  O  O43  1  0.70697800  0.98849700  0.26940600  1
