# generated using pymatgen
data_Nb2NiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64998711
_cell_length_b   5.64998711
_cell_length_c   6.77605369
_cell_angle_alpha   88.35719593
_cell_angle_beta   88.35719593
_cell_angle_gamma   71.38183627
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2NiO6
_chemical_formula_sum   'Nb4 Ni2 O12'
_cell_volume   204.85987121
_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
  Nb  Nb0  1  0.00000000  0.00000000  0.50000000  1.0
  Nb  Nb1  1  0.00000000  0.00000000  0.00000000  1.0
  Nb  Nb2  1  0.38763100  0.38763100  0.28372300  1.0
  Nb  Nb3  1  0.61236900  0.61236900  0.71627700  1.0
  Ni  Ni4  1  0.24356000  0.24356000  0.65921300  1.0
  Ni  Ni5  1  0.75644000  0.75644000  0.34078700  1.0
  O  O6  1  0.83883000  0.83883000  0.73237900  1.0
  O  O7  1  0.68585800  0.31414200  0.50000000  1.0
  O  O8  1  0.31414200  0.68585800  0.50000000  1.0
  O  O9  1  0.16117000  0.16117000  0.26762100  1.0
  O  O10  1  0.40876800  0.40876800  0.82843400  1.0
  O  O11  1  0.71283200  0.09301400  0.19220600  1.0
  O  O12  1  0.09301400  0.71283200  0.19220600  1.0
  O  O13  1  0.67775600  0.67775600  0.99818200  1.0
  O  O14  1  0.32224400  0.32224400  0.00181800  1.0
  O  O15  1  0.28716800  0.90698600  0.80779400  1.0
  O  O16  1  0.90698600  0.28716800  0.80779400  1.0
  O  O17  1  0.59123200  0.59123200  0.17156600  1.0