# generated using pymatgen
data_NiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86442974
_cell_length_b   4.86442974
_cell_length_c   9.17019700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   146.23587985
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiO2
_chemical_formula_sum   'Ni4 O8'
_cell_volume   120.59842670
_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  0.13440600  0.86559400  0.07096500  1.0
  Ni  Ni1  1  0.86559400  0.13440600  0.92903500  1.0
  Ni  Ni2  1  0.13440600  0.86559400  0.42903500  1.0
  Ni  Ni3  1  0.86559400  0.13440600  0.57096500  1.0
  O  O4  1  0.76399500  0.23600500  0.38910000  1.0
  O  O5  1  0.23600500  0.76399500  0.61090000  1.0
  O  O6  1  0.23600500  0.76399500  0.88910000  1.0
  O  O7  1  0.76399500  0.23600500  0.11090000  1.0
  O  O8  1  0.04508700  0.95491300  0.25000000  1.0
  O  O9  1  0.95491300  0.04508700  0.75000000  1.0
  O  O10  1  0.50000000  0.50000000  0.00000000  1.0
  O  O11  1  0.50000000  0.50000000  0.50000000  1.0