# generated using pymatgen
data_Li2IrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.84527960
_cell_length_b   9.41638651
_cell_length_c   5.05230341
_cell_angle_alpha   79.54588715
_cell_angle_beta   70.14587317
_cell_angle_gamma   30.30823968
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2IrO3
_chemical_formula_sum   'Li8 Ir4 O12'
_cell_volume   216.07043513
_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  0.07968529  0.07968529  0.92031471  1
  Li  Li1  1  0.92031471  0.92031471  0.07968529  1
  Li  Li2  1  0.17031471  0.17031471  0.32968529  1
  Li  Li3  1  0.32968529  0.32968529  0.17031471  1
  Li  Li4  1  0.24756142  0.24756142  0.75243858  1
  Li  Li5  1  0.75243858  0.75243858  0.24756142  1
  Li  Li6  1  0.00243858  0.00243858  0.49756142  1
  Li  Li7  1  0.49756142  0.49756142  0.00243858  1
  Ir  Ir8  1  0.41498552  0.41498552  0.58501448  1
  Ir  Ir9  1  0.58501448  0.58501448  0.41498552  1
  Ir  Ir10  1  0.83501448  0.83501448  0.66498552  1
  Ir  Ir11  1  0.66498552  0.66498552  0.83501448  1
  O  O12  1  0.26957461  0.73042539  0.73042539  1
  O  O13  1  0.73042539  0.26957461  0.26957461  1
  O  O14  1  0.98042539  0.51957461  0.51957461  1
  O  O15  1  0.51957461  0.98042539  0.98042539  1
  O  O16  1  0.82759741  0.34095786  0.66475827  1
  O  O17  1  0.16668646  0.66475827  0.34095786  1
  O  O18  1  0.66475827  0.16668646  0.82759741  1
  O  O19  1  0.34095786  0.82759741  0.16668646  1
  O  O20  1  0.42240259  0.90904214  0.58524173  1
  O  O21  1  0.08331354  0.58524173  0.90904214  1
  O  O22  1  0.58524173  0.08331354  0.42240259  1
  O  O23  1  0.90904214  0.42240259  0.08331354  1
