# generated using pymatgen
data_Li2NiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83367262
_cell_length_b   4.83367262
_cell_length_c   9.44393508
_cell_angle_alpha   85.05095585
_cell_angle_beta   85.05095585
_cell_angle_gamma   120.03290650
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2NiO3
_chemical_formula_sum   'Li8 Ni4 O12'
_cell_volume   188.15888561
_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
  Li  Li0  1  0.83838570  0.67562127  0.50019101  1
  Li  Li1  1  0.67562127  0.83838570  0.00019101  1
  Li  Li2  1  0.50000000  -0.00000000  0.50000000  1
  Li  Li3  1  0.08383743  0.91616257  0.75000000  1
  Li  Li4  1  0.91616257  0.08383743  0.25000000  1
  Li  Li5  1  0.32437873  0.16161430  0.99980899  1
  Li  Li6  1  -0.00000000  0.50000000  -0.00000000  1
  Li  Li7  1  0.16161430  0.32437873  0.49980899  1
  Ni  Ni8  1  0.75030448  0.24969552  0.75000000  1
  Ni  Ni9  1  0.41720217  0.58279783  0.75000000  1
  Ni  Ni10  1  0.58279783  0.41720217  0.25000000  1
  Ni  Ni11  1  0.24969552  0.75030448  0.25000000  1
  O  O12  1  0.23431355  0.04630788  0.36271405  1
  O  O13  1  0.59715761  0.12141242  0.13842540  1
  O  O14  1  0.47789801  0.30985329  0.63852869  1
  O  O15  1  0.87858758  0.40284239  0.36157460  1
  O  O16  1  0.69014671  0.52210199  0.86147131  1
  O  O17  1  0.04630788  0.23431355  0.86271405  1
  O  O18  1  0.95369212  0.76568645  0.13728595  1
  O  O19  1  0.30985329  0.47789801  0.13852869  1
  O  O20  1  0.12141242  0.59715761  0.63842540  1
  O  O21  1  0.52210199  0.69014671  0.36147131  1
  O  O22  1  0.40284239  0.87858758  0.86157460  1
  O  O23  1  0.76568645  0.95369212  0.63728595  1
