# generated using pymatgen
data_LiTiP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37719838
_cell_length_b   6.37719838
_cell_length_c   13.43653479
_cell_angle_alpha   74.14962060
_cell_angle_beta   74.14962060
_cell_angle_gamma   79.74996575
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTiP2O7
_chemical_formula_sum   'Li4 Ti4 P8 O28'
_cell_volume   502.51885640
_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  0.23352300  0.96709100  0.37686300  1
  Li  Li1  1  0.96709100  0.23352300  0.87686300  1
  Li  Li2  1  0.03290900  0.76647700  0.12313700  1
  Li  Li3  1  0.76647700  0.03290900  0.62313700  1
  Ti  Ti4  1  0.12379900  0.59360500  0.64346300  1
  Ti  Ti5  1  0.40639500  0.87620100  0.85653700  1
  Ti  Ti6  1  0.59360500  0.12379900  0.14346300  1
  Ti  Ti7  1  0.87620100  0.40639500  0.35653700  1
  P  P8  1  0.90756200  0.75386500  0.86664800  1
  P  P9  1  0.58100900  0.66689200  0.07394300  1
  P  P10  1  0.33310800  0.41899100  0.42605700  1
  P  P11  1  0.75386500  0.90756200  0.36664800  1
  P  P12  1  0.24613500  0.09243800  0.63335200  1
  P  P13  1  0.66689200  0.58100900  0.57394300  1
  P  P14  1  0.41899100  0.33310800  0.92605700  1
  P  P15  1  0.09243800  0.24613500  0.13335200  1
  O  O16  1  0.06453800  0.88106900  0.88976800  1
  O  O17  1  0.66499400  0.81011300  0.12681300  1
  O  O18  1  0.11893100  0.93546200  0.61023200  1
  O  O19  1  0.73444900  0.91255100  0.81547400  1
  O  O20  1  0.55985800  0.46504100  0.35487700  1
  O  O21  1  0.01866000  0.57427600  0.80685900  1
  O  O22  1  0.78713200  0.61054000  0.98017800  1
  O  O23  1  0.21624700  0.61180900  0.47550300  1
  O  O24  1  0.38819100  0.78375300  0.02449700  1
  O  O25  1  0.53495900  0.44014200  0.14512300  1
  O  O26  1  0.38946000  0.21286800  0.51982200  1
  O  O27  1  0.81011300  0.66499400  0.62681300  1
  O  O28  1  0.42572400  0.98134000  0.69314100  1
  O  O29  1  0.08744900  0.26555100  0.68452600  1
  O  O30  1  0.91255100  0.73444900  0.31547400  1
  O  O31  1  0.57427600  0.01866000  0.30685900  1
  O  O32  1  0.18988700  0.33500600  0.37318700  1
  O  O33  1  0.61054000  0.78713200  0.48017800  1
  O  O34  1  0.46504100  0.55985800  0.85487700  1
  O  O35  1  0.61180900  0.21624700  0.97550300  1
  O  O36  1  0.78375300  0.38819100  0.52449700  1
  O  O37  1  0.21286800  0.38946000  0.01982200  1
  O  O38  1  0.98134000  0.42572400  0.19314100  1
  O  O39  1  0.44014200  0.53495900  0.64512300  1
  O  O40  1  0.26555100  0.08744900  0.18452600  1
  O  O41  1  0.88106900  0.06453800  0.38976800  1
  O  O42  1  0.33500600  0.18988700  0.87318700  1
  O  O43  1  0.93546200  0.11893100  0.11023200  1
