# generated using pymatgen
data_NiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61095116
_cell_length_b   5.61095116
_cell_length_c   14.16891700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999008
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiO2
_chemical_formula_sum   'Ni12 O24'
_cell_volume   386.31387619
_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  0.83499200  0.16500800  0.83269900  1.0
  Ni  Ni1  1  0.83499200  0.66998500  0.83269900  1.0
  Ni  Ni2  1  0.50131300  0.49868700  0.49485900  1.0
  Ni  Ni3  1  0.33001500  0.16500800  0.83269900  1.0
  Ni  Ni4  1  0.50131300  0.00262500  0.49485900  1.0
  Ni  Ni5  1  0.33333300  0.66666700  0.33286200  1.0
  Ni  Ni6  1  0.33333300  0.66666700  0.70924600  1.0
  Ni  Ni7  1  0.16702500  0.83297500  0.17071200  1.0
  Ni  Ni8  1  0.99737500  0.49868700  0.49485900  1.0
  Ni  Ni9  1  0.16702500  0.33405100  0.17071200  1.0
  Ni  Ni10  1  0.66594900  0.83297500  0.17071200  1.0
  Ni  Ni11  1  0.66666700  0.33333300  0.04882700  1.0
  O  O12  1  0.14792700  0.85207300  0.90436300  1.0
  O  O13  1  0.00000000  0.00000000  0.76389400  1.0
  O  O14  1  0.14792700  0.29585500  0.90436300  1.0
  O  O15  1  0.70414500  0.85207300  0.90436300  1.0
  O  O16  1  0.81395200  0.18604800  0.56822600  1.0
  O  O17  1  0.97763200  0.48881600  0.76331200  1.0
  O  O18  1  0.66666700  0.33333300  0.42732700  1.0
  O  O19  1  0.51118400  0.02236800  0.76331200  1.0
  O  O20  1  0.66666700  0.33333300  0.90296400  1.0
  O  O21  1  0.81395200  0.62790300  0.56822600  1.0
  O  O22  1  0.37209700  0.18604800  0.56822600  1.0
  O  O23  1  0.51118400  0.48881600  0.76331200  1.0
  O  O24  1  0.48192500  0.51807500  0.24687700  1.0
  O  O25  1  0.63120900  0.81560400  0.41894100  1.0
  O  O26  1  0.18439600  0.36879100  0.41894100  1.0
  O  O27  1  0.33333300  0.66666700  0.10258000  1.0
  O  O28  1  0.33333300  0.66666700  0.56490400  1.0
  O  O29  1  0.48192500  0.96385000  0.24687700  1.0
  O  O30  1  0.03615000  0.51807500  0.24687700  1.0
  O  O31  1  0.18439600  0.81560400  0.41894100  1.0
  O  O32  1  0.30665700  0.15332900  0.09829100  1.0
  O  O33  1  0.84667100  0.69334300  0.09829100  1.0
  O  O34  1  0.00000000  0.00000000  0.23807700  1.0
  O  O35  1  0.84667100  0.15332900  0.09829100  1.0