# generated using pymatgen
data_Ni3P3O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.33924900
_cell_length_b   7.48936958
_cell_length_c   10.57803493
_cell_angle_alpha   99.53669248
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3P3O13
_chemical_formula_sum   'Ni6 P6 O26'
_cell_volume   495.27240281
_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
  Ni  Ni0  1  0.25000000  0.36399400  0.19799300  1.0
  Ni  Ni1  1  0.75000000  0.63600600  0.80200600  1.0
  Ni  Ni2  1  0.25000000  0.77069400  0.44442900  1.0
  Ni  Ni3  1  0.50000000  0.00000000  0.00000000  1.0
  Ni  Ni4  1  0.75000000  0.22930600  0.55557000  1.0
  Ni  Ni5  1  0.00000000  0.00000000  0.00000000  1.0
  P  P6  1  0.25000000  0.21143300  0.47557700  1.0
  P  P7  1  0.75000000  0.78856700  0.52442300  1.0
  P  P8  1  0.25000000  0.74621500  0.76638000  1.0
  P  P9  1  0.75000000  0.25378500  0.23362000  1.0
  P  P10  1  0.75000000  0.30479800  0.87839900  1.0
  P  P11  1  0.25000000  0.69520200  0.12160100  1.0
  O  O12  1  0.75000000  0.34972400  0.74092400  1.0
  O  O13  1  0.55597500  0.73962400  0.43759600  1.0
  O  O14  1  0.25000000  0.81413000  0.63744400  1.0
  O  O15  1  0.54844000  0.20428300  0.90589700  1.0
  O  O16  1  0.75000000  0.64408400  0.61487000  1.0
  O  O17  1  0.75000000  0.86798700  0.90441700  1.0
  O  O18  1  0.25000000  0.35591600  0.38513000  1.0
  O  O19  1  0.04844000  0.79571700  0.09410300  1.0
  O  O20  1  0.25000000  0.01993200  0.40117600  1.0
  O  O21  1  0.75000000  0.98006800  0.59882400  1.0
  O  O22  1  0.06077700  0.62358000  0.78400200  1.0
  O  O23  1  0.25000000  0.13201300  0.09558300  1.0
  O  O24  1  0.56077700  0.37642000  0.21599800  1.0
  O  O25  1  0.75000000  0.49895200  0.96084100  1.0
  O  O26  1  0.75000000  0.18587000  0.36255600  1.0
  O  O27  1  0.45156000  0.79571700  0.09410300  1.0
  O  O28  1  0.94402500  0.73962400  0.43759600  1.0
  O  O29  1  0.44402500  0.26037600  0.56240400  1.0
  O  O30  1  0.43922300  0.62358000  0.78400200  1.0
  O  O31  1  0.25000000  0.65027600  0.25907600  1.0
  O  O32  1  0.75000000  0.08397600  0.12577600  1.0
  O  O33  1  0.25000000  0.91602400  0.87422400  1.0
  O  O34  1  0.93922300  0.37642000  0.21599800  1.0
  O  O35  1  0.95156000  0.20428300  0.90589700  1.0
  O  O36  1  0.05597500  0.26037600  0.56240400  1.0
  O  O37  1  0.25000000  0.50104800  0.03915900  1.0