# generated using pymatgen
data_Li5(NiO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76759663
_cell_length_b   6.35479860
_cell_length_c   6.34186822
_cell_angle_alpha   71.20674566
_cell_angle_beta   76.36703132
_cell_angle_gamma   65.00074133
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5(NiO2)6
_chemical_formula_sum   'Li5 Ni6 O12'
_cell_volume   198.08664525
_cell_formula_units_Z   1
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
  Li  Li0  1  0.74196364  0.50915211  0.99295513  1
  Li  Li1  1  0.57769467  0.15207135  0.34382729  1
  Li  Li2  1  0.09054251  0.15799691  0.34033081  1
  Li  Li3  1  0.91670551  0.83342076  0.66544896  1
  Li  Li4  1  0.25841410  0.51777455  0.98831381  1
  Ni  Ni5  1  0.99723485  0.99718656  0.99707997  1
  Ni  Ni6  1  0.33727380  0.66819195  0.33735599  1
  Ni  Ni7  1  0.66371263  0.33786777  0.66849667  1
  Ni  Ni8  1  0.17025245  0.32803642  0.66523457  1
  Ni  Ni9  1  0.49642867  0.00101742  0.99728919  1
  Ni  Ni10  1  0.83518974  0.66582248  0.33534710  1
  O  O11  1  -0.00464520  0.10089106  0.68153413  1
  O  O12  1  0.87839238  0.75864849  0.01372917  1
  O  O13  1  0.37383950  0.75909745  0.02528863  1
  O  O14  1  0.45936913  0.91017850  0.30775111  1
  O  O15  1  0.22034064  0.42369939  0.35213238  1
  O  O16  1  0.72037008  0.42469909  0.35359773  1
  O  O17  1  0.32260781  0.56817611  0.65077684  1
  O  O18  1  0.82160930  0.55139111  0.65396644  1
  O  O19  1  0.52678252  0.11436205  0.68014322  1
  O  O20  1  0.61275800  0.24612417  0.98199437  1
  O  O21  1  0.11284294  0.23708477  0.97943389  1
  O  O22  1  0.95365533  0.90377451  0.32130559  1
