# generated using pymatgen
data_LiTi2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.61194411
_cell_length_b   8.61194411
_cell_length_c   8.61194390
_cell_angle_alpha   60.08291598
_cell_angle_beta   60.08291598
_cell_angle_gamma   60.08290840
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTi2(PO4)3
_chemical_formula_sum   'Li2 Ti4 P6 O24'
_cell_volume   452.48461485
_cell_formula_units_Z   2
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
  Ti  Ti2  1  0.14145500  0.14145500  0.14145500  1
  Ti  Ti3  1  0.64145500  0.64145500  0.64145500  1
  Ti  Ti4  1  0.85854500  0.85854500  0.85854500  1
  Ti  Ti5  1  0.35854500  0.35854500  0.35854500  1
  P  P6  1  0.54053400  0.25000000  0.95946600  1
  P  P7  1  0.75000000  0.04053400  0.45946600  1
  P  P8  1  0.45946600  0.75000000  0.04053400  1
  P  P9  1  0.04053400  0.45946600  0.75000000  1
  P  P10  1  0.25000000  0.95946600  0.54053400  1
  P  P11  1  0.95946600  0.54053400  0.25000000  1
  O  O12  1  0.00199600  0.37587900  0.19293500  1
  O  O13  1  0.41583700  0.76888300  0.55655000  1
  O  O14  1  0.55655000  0.41583700  0.76888300  1
  O  O15  1  0.76888300  0.55655000  0.41583700  1
  O  O16  1  0.08416300  0.94345000  0.73111700  1
  O  O17  1  0.73111700  0.08416300  0.94345000  1
  O  O18  1  0.94345000  0.73111700  0.08416300  1
  O  O19  1  0.58416300  0.23111700  0.44345000  1
  O  O20  1  0.44345000  0.58416300  0.23111700  1
  O  O21  1  0.23111700  0.44345000  0.58416300  1
  O  O22  1  0.99800400  0.62412100  0.80706500  1
  O  O23  1  0.37587900  0.19293500  0.00199600  1
  O  O24  1  0.19293500  0.00199600  0.37587900  1
  O  O25  1  0.12412100  0.49800400  0.30706500  1
  O  O26  1  0.49800400  0.30706500  0.12412100  1
  O  O27  1  0.30706500  0.12412100  0.49800400  1
  O  O28  1  0.62412100  0.80706500  0.99800400  1
  O  O29  1  0.26888300  0.91583700  0.05655000  1
  O  O30  1  0.80706500  0.99800400  0.62412100  1
  O  O31  1  0.87587900  0.50199600  0.69293500  1
  O  O32  1  0.50199600  0.69293500  0.87587900  1
  O  O33  1  0.69293500  0.87587900  0.50199600  1
  O  O34  1  0.05655000  0.26888300  0.91583700  1
  O  O35  1  0.91583700  0.05655000  0.26888300  1
