# generated using pymatgen
data_LiTi2P2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41052500
_cell_length_b   7.64232100
_cell_length_c   14.06062700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTi2P2O9
_chemical_formula_sum   'Li4 Ti8 P8 O36'
_cell_volume   688.84825253
_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  0.75000000  0.95230600  0.77361100  1
  Li  Li1  1  0.75000000  0.54769400  0.27361100  1
  Li  Li2  1  0.25000000  0.45230600  0.72638900  1
  Li  Li3  1  0.25000000  0.04769400  0.22638900  1
  Ti  Ti4  1  0.75000000  0.35312800  0.87954900  1
  Ti  Ti5  1  0.25000000  0.64687200  0.12045100  1
  Ti  Ti6  1  0.25000000  0.85312800  0.62045100  1
  Ti  Ti7  1  0.75000000  0.14687200  0.37954900  1
  Ti  Ti8  1  0.50000000  0.00000000  0.00000000  1
  Ti  Ti9  1  0.50000000  0.50000000  0.50000000  1
  Ti  Ti10  1  0.00000000  0.50000000  0.50000000  1
  Ti  Ti11  1  0.00000000  0.00000000  0.00000000  1
  P  P12  1  0.25000000  0.35822600  0.93197800  1
  P  P13  1  0.75000000  0.64177400  0.06802200  1
  P  P14  1  0.75000000  0.85822600  0.56802200  1
  P  P15  1  0.25000000  0.14177400  0.43197800  1
  P  P16  1  0.75000000  0.37704400  0.68995500  1
  P  P17  1  0.75000000  0.12295600  0.18995500  1
  P  P18  1  0.25000000  0.87704400  0.81004500  1
  P  P19  1  0.25000000  0.62295600  0.31004500  1
  O  O20  1  0.05031300  0.60813600  0.37259000  1
  O  O21  1  0.55031300  0.39186400  0.62741000  1
  O  O22  1  0.94968700  0.10813600  0.12741000  1
  O  O23  1  0.44968700  0.89186400  0.87259000  1
  O  O24  1  0.94968700  0.39186400  0.62741000  1
  O  O25  1  0.44968700  0.60813600  0.37259000  1
  O  O26  1  0.05031300  0.89186400  0.87259000  1
  O  O27  1  0.55031300  0.10813600  0.12741000  1
  O  O28  1  0.25000000  0.32977900  0.47822700  1
  O  O29  1  0.75000000  0.67022100  0.52177300  1
  O  O30  1  0.75000000  0.82977900  0.02177300  1
  O  O31  1  0.25000000  0.17022100  0.97822700  1
  O  O32  1  0.75000000  0.13317200  0.94146800  1
  O  O33  1  0.25000000  0.86682800  0.05853200  1
  O  O34  1  0.25000000  0.63317200  0.55853200  1
  O  O35  1  0.75000000  0.36682800  0.44146800  1
  O  O36  1  0.75000000  0.20713100  0.75071500  1
  O  O37  1  0.25000000  0.79286900  0.24928500  1
  O  O38  1  0.25000000  0.70713100  0.74928500  1
  O  O39  1  0.75000000  0.29286900  0.25071500  1
  O  O40  1  0.44111200  0.12537400  0.36709200  1
  O  O41  1  0.94111200  0.87462600  0.63290800  1
  O  O42  1  0.55888800  0.62537400  0.13290800  1
  O  O43  1  0.05888800  0.37462600  0.86709200  1
  O  O44  1  0.55888800  0.87462600  0.63290800  1
  O  O45  1  0.05888800  0.12537400  0.36709200  1
  O  O46  1  0.44111200  0.37462600  0.86709200  1
  O  O47  1  0.94111200  0.62537400  0.13290800  1
  O  O48  1  0.75000000  0.50570600  0.98819900  1
  O  O49  1  0.25000000  0.02094600  0.73218100  1
  O  O50  1  0.25000000  0.47905400  0.23218100  1
  O  O51  1  0.75000000  0.52094600  0.76781900  1
  O  O52  1  0.75000000  0.99429400  0.48819900  1
  O  O53  1  0.25000000  0.00570600  0.51180100  1
  O  O54  1  0.25000000  0.49429400  0.01180100  1
  O  O55  1  0.75000000  0.97905400  0.26781900  1
