# generated using pymatgen
data_Nb3Ni(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.00886071
_cell_length_b   9.00886071
_cell_length_c   9.00886046
_cell_angle_alpha   58.49838760
_cell_angle_beta   58.49838760
_cell_angle_gamma   58.49838604
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3Ni(PO4)6
_chemical_formula_sum   'Nb3 Ni1 P6 O24'
_cell_volume   499.24520643
_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  0.14035000  0.14035000  0.14035000  1.0
  Nb  Nb1  1  0.35848200  0.35848200  0.35848200  1.0
  Nb  Nb2  1  0.64011200  0.64011200  0.64011200  1.0
  Ni  Ni3  1  0.85686700  0.85686700  0.85686700  1.0
  P  P4  1  0.75068500  0.03210700  0.47250900  1.0
  P  P5  1  0.03210700  0.47250900  0.75068500  1.0
  P  P6  1  0.47250900  0.75068500  0.03210700  1.0
  P  P7  1  0.54036300  0.24148500  0.96564400  1.0
  P  P8  1  0.96564400  0.54036300  0.24148500  1.0
  P  P9  1  0.24148500  0.96564400  0.54036300  1.0
  O  O10  1  0.28418600  0.13274600  0.49904400  1.0
  O  O11  1  0.49904400  0.28418600  0.13274600  1.0
  O  O12  1  0.92011300  0.06200200  0.28949100  1.0
  O  O13  1  0.13274600  0.49904400  0.28418600  1.0
  O  O14  1  0.58061300  0.20953900  0.43241200  1.0
  O  O15  1  0.77600500  0.01206200  0.63430600  1.0
  O  O16  1  0.06200200  0.28949100  0.92011300  1.0
  O  O17  1  0.20953900  0.43241200  0.58061200  1.0
  O  O18  1  0.43241200  0.58061200  0.20953900  1.0
  O  O19  1  0.36459000  0.21962500  0.99705200  1.0
  O  O20  1  0.71544600  0.07826100  0.94002300  1.0
  O  O21  1  0.99705200  0.36459000  0.21962500  1.0
  O  O22  1  0.01206200  0.63430600  0.77600500  1.0
  O  O23  1  0.28949100  0.92011300  0.06200200  1.0
  O  O24  1  0.63430600  0.77600500  0.01206200  1.0
  O  O25  1  0.56098300  0.42053100  0.79069300  1.0
  O  O26  1  0.79069300  0.56098300  0.42053100  1.0
  O  O27  1  0.94002300  0.71544600  0.07826100  1.0
  O  O28  1  0.21962500  0.99705200  0.36459000  1.0
  O  O29  1  0.42053100  0.79069300  0.56098300  1.0
  O  O30  1  0.86469400  0.49773500  0.71924100  1.0
  O  O31  1  0.07826100  0.94002300  0.71544600  1.0
  O  O32  1  0.49773500  0.71924100  0.86469400  1.0
  O  O33  1  0.71924100  0.86469400  0.49773500  1.0