# generated using pymatgen
data_Li3Ni2IrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.00590020
_cell_length_b   5.13316401
_cell_length_c   5.13316406
_cell_angle_alpha   119.97564779
_cell_angle_beta   99.89078004
_cell_angle_gamma   99.89078563
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Ni2IrO6
_chemical_formula_sum   'Li3 Ni2 Ir1 O6'
_cell_volume   107.31000702
_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  0.50000000  0.82875139  0.17124861  1.0
  Li  Li1  1  0.50000000  0.17124861  0.82875139  1.0
  Li  Li2  1  0.50000000  0.50000000  0.50000000  1.0
  Ni  Ni3  1  0.00000000  0.66671182  0.33328818  1.0
  Ni  Ni4  1  1.00000000  0.33328818  0.66671182  1.0
  Ir  Ir5  1  0.00000000  0.00000000  0.00000000  1.0
  O  O6  1  0.22867900  0.74863404  0.74863404  1.0
  O  O7  1  0.77132100  0.25136596  0.25136596  1.0
  O  O8  1  0.23096686  0.07698693  0.40570316  1.0
  O  O9  1  0.23096686  0.40570316  0.07698693  1.0
  O  O10  1  0.76903314  0.92301307  0.59429684  1.0
  O  O11  1  0.76903314  0.59429684  0.92301307  1.0