# generated using pymatgen
data_NbNi5(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.53345542
_cell_length_b   8.53345542
_cell_length_c   8.53345550
_cell_angle_alpha   61.13132184
_cell_angle_beta   61.13132184
_cell_angle_gamma   61.13131703
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbNi5(PO4)6
_chemical_formula_sum   'Nb1 Ni5 P6 O24'
_cell_volume   450.58688484
_cell_formula_units_Z   1
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
  Nb  Nb0  1  0.14334800  0.14334800  0.14334800  1.0
  Ni  Ni1  1  0.99535500  0.99535500  0.99535500  1.0
  Ni  Ni2  1  0.64068800  0.64068800  0.64068800  1.0
  Ni  Ni3  1  0.49971300  0.49971300  0.49971300  1.0
  Ni  Ni4  1  0.85604300  0.85604300  0.85604300  1.0
  Ni  Ni5  1  0.35794100  0.35794100  0.35794100  1.0
  P  P6  1  0.95140100  0.25280400  0.55369600  1.0
  P  P7  1  0.55369600  0.95140100  0.25280400  1.0
  P  P8  1  0.25280400  0.55369600  0.95140100  1.0
  P  P9  1  0.74205000  0.45764500  0.04678300  1.0
  P  P10  1  0.45764500  0.04678300  0.74205000  1.0
  P  P11  1  0.04678300  0.74205000  0.45764500  1.0
  O  O12  1  0.51059100  0.10687400  0.32061300  1.0
  O  O13  1  0.32061300  0.51059100  0.10687400  1.0
  O  O14  1  0.10687400  0.32061300  0.51059100  1.0
  O  O15  1  0.93747300  0.09212900  0.74653600  1.0
  O  O16  1  0.00993200  0.17677800  0.38928500  1.0
  O  O17  1  0.75592000  0.40363100  0.55492400  1.0
  O  O18  1  0.74653600  0.93747300  0.09212900  1.0
  O  O19  1  0.55492400  0.75592000  0.40363100  1.0
  O  O20  1  0.81396900  0.60898100  0.00890800  1.0
  O  O21  1  0.40363100  0.55492400  0.75592000  1.0
  O  O22  1  0.90521400  0.25510400  0.06631000  1.0
  O  O23  1  0.60898100  0.00890800  0.81396900  1.0
  O  O24  1  0.38928500  0.00993200  0.17677800  1.0
  O  O25  1  0.09212900  0.74653600  0.93747300  1.0
  O  O26  1  0.59057200  0.44143100  0.24534000  1.0
  O  O27  1  0.17677800  0.38928500  0.00993200  1.0
  O  O28  1  0.44143100  0.24534000  0.59057200  1.0
  O  O29  1  0.25510400  0.06631000  0.90521400  1.0
  O  O30  1  0.24534000  0.59057200  0.44143100  1.0
  O  O31  1  0.00890800  0.81396900  0.60898100  1.0
  O  O32  1  0.06631000  0.90521400  0.25510400  1.0
  O  O33  1  0.89183000  0.67990500  0.49029400  1.0
  O  O34  1  0.67990500  0.49029400  0.89183000  1.0
  O  O35  1  0.49029400  0.89183000  0.67990500  1.0