# generated using pymatgen
data_NiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68536427
_cell_length_b   5.68536427
_cell_length_c   5.68536408
_cell_angle_alpha   60.49769170
_cell_angle_beta   60.49769170
_cell_angle_gamma   60.49770013
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiO2
_chemical_formula_sum   'Ni4 O8'
_cell_volume   131.40671403
_cell_formula_units_Z   4
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  0.24543100  0.24543100  0.24543100  1.0
  Ni  Ni1  1  0.62811000  0.11993200  0.62811000  1.0
  Ni  Ni2  1  0.62811000  0.62811000  0.11993200  1.0
  Ni  Ni3  1  0.11993200  0.62811000  0.62811000  1.0
  O  O4  1  0.84876800  0.37249000  0.37249000  1.0
  O  O5  1  0.37249000  0.37249000  0.84876800  1.0
  O  O6  1  0.37249000  0.84876800  0.37249000  1.0
  O  O7  1  0.38238200  0.38238200  0.38238200  1.0
  O  O8  1  0.86424300  0.86424300  0.86424300  1.0
  O  O9  1  0.87010100  0.42039500  0.87010100  1.0
  O  O10  1  0.87010100  0.87010100  0.42039500  1.0
  O  O11  1  0.42039500  0.87010100  0.87010100  1.0