# generated using pymatgen
data_NiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74928225
_cell_length_b   5.74928225
_cell_length_c   18.81966337
_cell_angle_alpha   80.67543171
_cell_angle_beta   80.67543171
_cell_angle_gamma   59.93273613
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiO2
_chemical_formula_sum   'Ni16 O32'
_cell_volume   528.86295633
_cell_formula_units_Z   16
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  0.37884700  0.87256500  0.87500100  1.0
  Ni  Ni1  1  0.25258100  0.25258100  0.74739600  1.0
  Ni  Ni2  1  0.87256500  0.37884700  0.87500100  1.0
  Ni  Ni3  1  0.34812200  0.34812200  0.46574700  1.0
  Ni  Ni4  1  0.12527800  0.62315300  0.62230700  1.0
  Ni  Ni5  1  0.90332000  0.90332000  0.77891800  1.0
  Ni  Ni6  1  0.09917800  0.09917800  0.21668700  1.0
  Ni  Ni7  1  0.62315300  0.12527800  0.62230700  1.0
  Ni  Ni8  1  0.87582600  0.37602000  0.37586800  1.0
  Ni  Ni9  1  0.64983100  0.64983100  0.53686000  1.0
  Ni  Ni10  1  0.37602000  0.87582600  0.37586800  1.0
  Ni  Ni11  1  0.12182500  0.62604200  0.12878200  1.0
  Ni  Ni12  1  0.62604200  0.12182500  0.12878200  1.0
  Ni  Ni13  1  0.40500100  0.40500100  0.28349400  1.0
  Ni  Ni14  1  0.50138300  0.50138300  0.99981800  1.0
  Ni  Ni15  1  0.15267800  0.15267800  0.03005900  1.0
  O  O16  1  0.67671800  0.23773500  0.93588500  1.0
  O  O17  1  0.57013600  0.57013600  0.82393000  1.0
  O  O18  1  0.23773500  0.67671800  0.93588500  1.0
  O  O19  1  0.67069800  0.67069800  0.93366300  1.0
  O  O20  1  0.07754700  0.07754700  0.81621600  1.0
  O  O21  1  0.43041000  0.98334100  0.68537600  1.0
  O  O22  1  0.52834300  0.05614900  0.81015100  1.0
  O  O23  1  0.32260400  0.32260400  0.56688100  1.0
  O  O24  1  0.98334100  0.43041000  0.68537600  1.0
  O  O25  1  0.17425200  0.17425200  0.92799500  1.0
  O  O26  1  0.41948800  0.41948800  0.68108500  1.0
  O  O27  1  0.05614900  0.52834300  0.81015100  1.0
  O  O28  1  0.19452700  0.70369500  0.43283200  1.0
  O  O29  1  0.81704500  0.81704500  0.56937100  1.0
  O  O30  1  0.29073700  0.80456300  0.56502500  1.0
  O  O31  1  0.07667100  0.07667100  0.31736500  1.0
  O  O32  1  0.70369500  0.19452700  0.43283200  1.0
  O  O33  1  0.92389600  0.92389600  0.67692600  1.0
  O  O34  1  0.18603100  0.18603100  0.43013400  1.0
  O  O35  1  0.80456300  0.29073700  0.56502500  1.0
  O  O36  1  0.56579300  0.56579300  0.32114300  1.0
  O  O37  1  0.94286600  0.45993100  0.18675900  1.0
  O  O38  1  0.04924800  0.55527500  0.31785700  1.0
  O  O39  1  0.82557000  0.82557000  0.07434900  1.0
  O  O40  1  0.45993100  0.94286600  0.18675900  1.0
  O  O41  1  0.67446100  0.67446100  0.43504900  1.0
  O  O42  1  0.93499800  0.93499800  0.18281000  1.0
  O  O43  1  0.55527500  0.04924800  0.31785700  1.0
  O  O44  1  0.32728400  0.32728400  0.06645600  1.0
  O  O45  1  0.77820900  0.30688600  0.06179900  1.0
  O  O46  1  0.42701200  0.42701200  0.18274100  1.0
  O  O47  1  0.30688600  0.77820900  0.06179900  1.0