# generated using pymatgen
data_NiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63301475
_cell_length_b   5.63808747
_cell_length_c   16.93582344
_cell_angle_alpha   60.00291952
_cell_angle_beta   60.09517695
_cell_angle_gamma   59.98128362
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiO2
_chemical_formula_sum   'Ni12 O24'
_cell_volume   380.56028868
_cell_formula_units_Z   12
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  0.49653300  0.49632100  0.16920200  1.0
  Ni  Ni1  1  0.00030100  0.50074600  0.49967900  1.0
  Ni  Ni2  1  0.50037800  0.49788400  0.33408200  1.0
  Ni  Ni3  1  0.49638000  0.99878400  0.16930200  1.0
  Ni  Ni4  1  0.50062700  0.50064300  0.49974300  1.0
  Ni  Ni5  1  0.99974900  0.49592800  0.16917300  1.0
  Ni  Ni6  1  0.50058100  0.50295900  0.66571400  1.0
  Ni  Ni7  1  0.50068000  0.00035100  0.49966300  1.0
  Ni  Ni8  1  0.50152200  0.50181000  0.83173300  1.0
  Ni  Ni9  1  0.50158800  0.00211200  0.83142100  1.0
  Ni  Ni10  1  0.00139800  0.50182000  0.83158400  1.0
  Ni  Ni11  1  0.88217500  0.88020800  0.95117300  1.0
  O  O12  1  0.24233300  0.24233600  0.10038800  1.0
  O  O13  1  0.24288800  0.71326100  0.10019900  1.0
  O  O14  1  0.26207000  0.26106400  0.23847200  1.0
  O  O15  1  0.70971300  0.24588900  0.09940300  1.0
  O  O16  1  0.26435900  0.26448200  0.42176300  1.0
  O  O17  1  0.29370900  0.73325000  0.24621600  1.0
  O  O18  1  0.73706400  0.73701900  0.09624900  1.0
  O  O19  1  0.73586900  0.29175300  0.24598300  1.0
  O  O20  1  0.26576800  0.70499700  0.42127700  1.0
  O  O21  1  0.26596500  0.26519600  0.56794900  1.0
  O  O22  1  0.70640200  0.26407800  0.42192100  1.0
  O  O23  1  0.73575800  0.73305900  0.24601600  1.0
  O  O24  1  0.26632400  0.26839400  0.75266200  1.0
  O  O25  1  0.29526300  0.73699000  0.57746000  1.0
  O  O26  1  0.73530200  0.73604700  0.43116200  1.0
  O  O27  1  0.73524300  0.29677500  0.57811300  1.0
  O  O28  1  0.26754700  0.26706200  0.89928700  1.0
  O  O29  1  0.26520900  0.70933500  0.75330300  1.0
  O  O30  1  0.70776300  0.26732100  0.75313700  1.0
  O  O31  1  0.73661900  0.73678500  0.57746000  1.0
  O  O32  1  0.28862400  0.75066900  0.90330900  1.0
  O  O33  1  0.75157800  0.28716900  0.90325200  1.0
  O  O34  1  0.73550600  0.73653700  0.76384400  1.0
  O  O35  1  0.74961000  0.74937000  0.90360700  1.0