# generated using pymatgen
data_TiPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.50730527
_cell_length_b   8.50730527
_cell_length_c   8.50730549
_cell_angle_alpha   61.71071386
_cell_angle_beta   61.71071386
_cell_angle_gamma   61.71071255
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiPO4
_chemical_formula_sum   'Ti6 P6 O24'
_cell_volume   452.06652117
_cell_formula_units_Z   6
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  0.00000000  1.0
  Ti  Ti1  1  0.50000000  0.50000000  0.50000000  1.0
  Ti  Ti2  1  0.85742500  0.85742500  0.85742500  1.0
  Ti  Ti3  1  0.64257500  0.64257500  0.64257500  1.0
  Ti  Ti4  1  0.35742500  0.35742500  0.35742500  1.0
  Ti  Ti5  1  0.14257500  0.14257500  0.14257500  1.0
  P  P6  1  0.75000000  0.45636500  0.04363500  1.0
  P  P7  1  0.45636500  0.04363500  0.75000000  1.0
  P  P8  1  0.04363500  0.75000000  0.45636500  1.0
  P  P9  1  0.95636500  0.25000000  0.54363500  1.0
  P  P10  1  0.54363500  0.95636500  0.25000000  1.0
  P  P11  1  0.25000000  0.54363500  0.95636500  1.0
  O  O12  1  0.88827300  0.67948600  0.49834400  1.0
  O  O13  1  0.67948600  0.49834400  0.88827300  1.0
  O  O14  1  0.94113100  0.09434600  0.74237800  1.0
  O  O15  1  0.49834400  0.88827300  0.67948600  1.0
  O  O16  1  0.99834400  0.17948600  0.38827300  1.0
  O  O17  1  0.75762200  0.40565400  0.55886900  1.0
  O  O18  1  0.74237800  0.94113100  0.09434600  1.0
  O  O19  1  0.55886900  0.75762200  0.40565400  1.0
  O  O20  1  0.82051400  0.61172700  0.00165600  1.0
  O  O21  1  0.40565400  0.55886900  0.75762200  1.0
  O  O22  1  0.90565400  0.25762200  0.05886900  1.0
  O  O23  1  0.61172700  0.00165600  0.82051400  1.0
  O  O24  1  0.38827300  0.99834400  0.17948600  1.0
  O  O25  1  0.09434600  0.74237800  0.94113100  1.0
  O  O26  1  0.59434600  0.44113100  0.24237800  1.0
  O  O27  1  0.17948600  0.38827300  0.99834400  1.0
  O  O28  1  0.44113100  0.24237800  0.59434600  1.0
  O  O29  1  0.25762200  0.05886900  0.90565400  1.0
  O  O30  1  0.24237800  0.59434600  0.44113100  1.0
  O  O31  1  0.00165600  0.82051400  0.61172700  1.0
  O  O32  1  0.50165600  0.11172700  0.32051400  1.0
  O  O33  1  0.05886900  0.90565400  0.25762200  1.0
  O  O34  1  0.32051400  0.50165600  0.11172700  1.0
  O  O35  1  0.11172700  0.32051400  0.50165600  1.0