# generated using pymatgen
data_Ni3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.73772747
_cell_length_b   9.73772747
_cell_length_c   5.09446699
_cell_angle_alpha   87.87857236
_cell_angle_beta   87.87857236
_cell_angle_gamma   17.14191735
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3O4
_chemical_formula_sum   'Ni6 O8'
_cell_volume   142.28129189
_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  0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni1  1  0.62623000  0.62623000  0.13267200  1.0
  Ni  Ni2  1  0.25719000  0.25719000  0.25129800  1.0
  Ni  Ni3  1  0.50000000  0.50000000  0.50000000  1.0
  Ni  Ni4  1  0.74281000  0.74281000  0.74870200  1.0
  Ni  Ni5  1  0.37377000  0.37377000  0.86732800  1.0
  O  O6  1  0.81044700  0.81044700  0.04640700  1.0
  O  O7  1  0.44847300  0.44847300  0.14849000  1.0
  O  O8  1  0.05754300  0.05754300  0.29071700  1.0
  O  O9  1  0.69921500  0.69921500  0.40142700  1.0
  O  O10  1  0.30078500  0.30078500  0.59857300  1.0
  O  O11  1  0.94245700  0.94245700  0.70928300  1.0
  O  O12  1  0.55152700  0.55152700  0.85151000  1.0
  O  O13  1  0.18955300  0.18955300  0.95359300  1.0