# generated using pymatgen
data_TiPHO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.20516400
_cell_length_b   5.25680323
_cell_length_c   7.43999650
_cell_angle_alpha   109.46226933
_cell_angle_beta   105.55855088
_cell_angle_gamma   97.66189167
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiPHO5
_chemical_formula_sum   'Ti2 P2 H2 O10'
_cell_volume   179.26773666
_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  0.50000000  0.50000000  0.50000000  1.0
  Ti  Ti1  1  0.00000000  0.00000000  0.00000000  1.0
  P  P2  1  0.09704200  0.41782700  0.22849400  1.0
  P  P3  1  0.90295800  0.58217300  0.77150600  1.0
  H  H4  1  0.31661600  0.63823600  0.33418100  1.0
  H  H5  1  0.68338400  0.36176400  0.66581900  1.0
  O  O6  1  0.41980900  0.24600300  0.72131700  1.0
  O  O7  1  0.88816400  0.41849700  0.38330200  1.0
  O  O8  1  0.05188600  0.99950100  0.66077300  1.0
  O  O9  1  0.55790400  0.69139500  0.07733000  1.0
  O  O10  1  0.00607600  0.56339000  0.11838500  1.0
  O  O11  1  0.99392400  0.43661000  0.88161500  1.0
  O  O12  1  0.44209600  0.30860500  0.92267000  1.0
  O  O13  1  0.94811400  0.00049900  0.33922700  1.0
  O  O14  1  0.11183600  0.58150300  0.61669800  1.0
  O  O15  1  0.58019100  0.75399700  0.27868300  1.0