# generated using pymatgen
data_Li2NiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83132387
_cell_length_b   4.83132472
_cell_length_c   4.92889730
_cell_angle_alpha   99.53049172
_cell_angle_beta   99.53050265
_cell_angle_gamma   119.95893812
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2NiO3
_chemical_formula_sum   'Li4 Ni2 O6'
_cell_volume   94.05981969
_cell_formula_units_Z   2
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  0.33728099  0.66271901  0.50000000  1
  Li  Li1  1  0.00000000  0.00000000  0.50000000  1
  Li  Li2  1  0.66271901  0.33728099  0.50000000  1
  Li  Li3  1  0.50000000  0.50000000  -0.00000000  1
  Ni  Ni4  1  0.16681560  0.83318440  -0.00000000  1
  Ni  Ni5  1  0.83318440  0.16681560  0.00000000  1
  O  O6  1  0.57462900  0.93108876  0.22282626  1
  O  O7  1  0.42537100  0.06891124  0.77717374  1
  O  O8  1  0.78023586  0.78023586  0.77434566  1
  O  O9  1  0.93108876  0.57462900  0.22282626  1
  O  O10  1  0.06891124  0.42537100  0.77717374  1
  O  O11  1  0.21976414  0.21976414  0.22565434  1
