[CIF]
data_TiPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79245682
_cell_length_b   4.79245682
_cell_length_c   5.71568000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   109.76910116
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiPO4
_chemical_formula_sum   'Ti2 P2 O8'
_cell_volume   123.53873925
_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
  O  O0  1  4.02662500  -0.20467000  1.42892000  1
  O  O1  1  1.48686500  0.20467000  4.28676000  1
  O  O2  1  4.02662500  0.20467000  4.28676000  1
  O  O3  1  1.48686500  -0.20467000  1.42892000  1
  O  O4  1  2.75674500  -1.96519000  0.16057500  1
  O  O5  1  2.75674500  1.96519000  3.01841500  1
  O  O6  1  2.75674500  1.96519000  5.55510500  1
  O  O7  1  2.75674500  -1.96519000  2.69726500  1
  P  P8  1  2.75674500  -1.12116000  1.42892000  1
  P  P9  1  2.75674500  1.12116000  4.28676000  1
  Ti  Ti10  1  0.00000000  0.00000000  0.00000000  1
  Ti  Ti11  1  0.00000000  0.00000000  2.85784000  1
[/CIF]
