# generated using pymatgen
data_TiPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81255248
_cell_length_b   4.81255248
_cell_length_c   6.59065200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   113.41501643
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiPO4
_chemical_formula_sum   'Ti2 P2 O8'
_cell_volume   140.07371499
_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
  Ti  Ti0  1  0.00000000  0.00000000  0.50000000  1.0
  Ti  Ti1  1  0.00000000  0.00000000  0.00000000  1.0
  P  P2  1  0.65416700  0.34583300  0.25000000  1.0
  P  P3  1  0.34583300  0.65416700  0.75000000  1.0
  O  O4  1  0.23818300  0.76181700  0.55797700  1.0
  O  O5  1  0.76181700  0.23818300  0.05797700  1.0
  O  O6  1  0.76181700  0.23818300  0.44202300  1.0
  O  O7  1  0.23818300  0.76181700  0.94202300  1.0
  O  O8  1  0.70139200  0.78780800  0.75000000  1.0
  O  O9  1  0.29860800  0.21219200  0.25000000  1.0
  O  O10  1  0.78780800  0.70139200  0.25000000  1.0
  O  O11  1  0.21219200  0.29860800  0.75000000  1.0