# generated using pymatgen
data_LiTiP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.17657400
_cell_length_b   6.85965600
_cell_length_c   9.65019070
_cell_angle_alpha   71.35276032
_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   512.85095096
_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  0.13136700  0.79348600  0.53729300  1
  Li  Li1  1  0.36863300  0.79348600  0.03729300  1
  Li  Li2  1  0.63136700  0.20651400  0.96270700  1
  Li  Li3  1  0.86863300  0.20651400  0.46270700  1
  Ti  Ti4  1  0.77349200  0.71470500  0.99383100  1
  Ti  Ti5  1  0.72650800  0.71470500  0.49383100  1
  Ti  Ti6  1  0.27349200  0.28529500  0.50616900  1
  Ti  Ti7  1  0.22650800  0.28529500  0.00616900  1
  P  P8  1  0.53699400  0.94410700  0.70640000  1
  P  P9  1  0.96300600  0.94410700  0.20640000  1
  P  P10  1  0.91882400  0.46540300  0.79372900  1
  P  P11  1  0.41882400  0.53459700  0.70627100  1
  P  P12  1  0.58117600  0.46540300  0.29372900  1
  P  P13  1  0.08117600  0.53459700  0.20627100  1
  P  P14  1  0.03699400  0.05589300  0.79360000  1
  P  P15  1  0.46300600  0.05589300  0.29360000  1
  O  O16  1  0.58655800  0.90867500  0.86654000  1
  O  O17  1  0.93791000  0.85763100  0.84960800  1
  O  O18  1  0.67734200  0.93441600  0.60398900  1
  O  O19  1  0.39981500  0.76811600  0.71155800  1
  O  O20  1  0.91344200  0.90867500  0.36654000  1
  O  O21  1  0.56209000  0.85763100  0.34960800  1
  O  O22  1  0.82265800  0.93441600  0.10398900  1
  O  O23  1  0.77081200  0.48679400  0.88555000  1
  O  O24  1  0.91633400  0.60858200  0.63331500  1
  O  O25  1  0.10018500  0.76811600  0.21155800  1
  O  O26  1  0.08197400  0.48107300  0.86290400  1
  O  O27  1  0.58197400  0.51892700  0.63709600  1
  O  O28  1  0.41633400  0.39141800  0.86668500  1
  O  O29  1  0.27081200  0.51320600  0.61445000  1
  O  O30  1  0.72918800  0.48679400  0.38555000  1
  O  O31  1  0.58366600  0.60858200  0.13331500  1
  O  O32  1  0.41802600  0.48107300  0.36290400  1
  O  O33  1  0.91802600  0.51892700  0.13709600  1
  O  O34  1  0.89981500  0.23188400  0.78844200  1
  O  O35  1  0.08366600  0.39141800  0.36668500  1
  O  O36  1  0.22918800  0.51320600  0.11445000  1
  O  O37  1  0.17734200  0.06558400  0.89601100  1
  O  O38  1  0.43791000  0.14236900  0.65039200  1
  O  O39  1  0.08655800  0.09132500  0.63346000  1
  O  O40  1  0.60018500  0.23188400  0.28844200  1
  O  O41  1  0.32265800  0.06558400  0.39601100  1
  O  O42  1  0.06209000  0.14236900  0.15039200  1
  O  O43  1  0.41344200  0.09132500  0.13346000  1
