# generated using pymatgen
data_LiTiPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37336714
_cell_length_b   7.21456543
_cell_length_c   7.33644242
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTiPO5
_chemical_formula_sum   'Li4 Ti4 P4 O20'
_cell_volume   337.33750358
_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  0.00000000  -0.00000000  -0.00000000  1
  Li  Li1  1  0.50000000  0.50000000  0.50000000  1
  Li  Li2  1  0.00000000  0.50000000  0.50000000  1
  Li  Li3  1  0.50000000  -0.00000000  -0.00000000  1
  Ti  Ti4  1  0.75000000  0.27870626  0.83591350  1
  Ti  Ti5  1  0.25000000  0.72129374  0.16408650  1
  Ti  Ti6  1  0.25000000  0.77870626  0.66408650  1
  Ti  Ti7  1  0.75000000  0.22129374  0.33591350  1
  P  P8  1  0.25000000  0.37020209  0.87404411  1
  P  P9  1  0.75000000  0.62979791  0.12595589  1
  P  P10  1  0.75000000  0.87020209  0.62595589  1
  P  P11  1  0.25000000  0.12979791  0.37404411  1
  O  O12  1  0.94329678  0.74537725  0.62843247  1
  O  O13  1  0.55670322  0.75462275  0.12843247  1
  O  O14  1  0.05670322  0.24537725  0.87156753  1
  O  O15  1  0.44329678  0.25462275  0.37156753  1
  O  O16  1  0.05670322  0.25462275  0.37156753  1
  O  O17  1  0.55670322  0.74537725  0.62843247  1
  O  O18  1  0.94329678  0.75462275  0.12843247  1
  O  O19  1  0.44329678  0.24537725  0.87156753  1
  O  O20  1  0.75000000  0.15538806  0.10848282  1
  O  O21  1  0.25000000  0.84461194  0.89151718  1
  O  O22  1  0.25000000  0.65538806  0.39151718  1
  O  O23  1  0.75000000  0.34461194  0.60848282  1
  O  O24  1  0.75000000  0.99761010  0.79393204  1
  O  O25  1  0.25000000  0.00238990  0.20606796  1
  O  O26  1  0.25000000  0.49761010  0.70606796  1
  O  O27  1  0.75000000  0.50238990  0.29393204  1
  O  O28  1  0.25000000  0.48453421  0.04943987  1
  O  O29  1  0.75000000  0.51546579  0.95056013  1
  O  O30  1  0.75000000  0.98453421  0.45056013  1
  O  O31  1  0.25000000  0.01546579  0.54943987  1
