# generated using pymatgen
data_LiIrO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53393156
_cell_length_b   5.53393156
_cell_length_c   4.96333645
_cell_angle_alpha   79.32477473
_cell_angle_beta   79.32477473
_cell_angle_gamma   120.02765729
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiIrO2
_chemical_formula_sum   'Li3 Ir3 O6'
_cell_volume   122.22565809
_cell_formula_units_Z   3
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  0.00000000  0.00000000  0.50000000  1
  Li  Li1  1  0.67703200  0.32296800  0.50000000  1
  Li  Li2  1  0.32296800  0.67703200  0.50000000  1
  Ir  Ir3  1  0.83372700  0.16627300  0.00000000  1
  Ir  Ir4  1  0.16627300  0.83372700  0.00000000  1
  Ir  Ir5  1  0.50000000  0.50000000  0.00000000  1
  O  O6  1  0.42715300  0.09450800  0.21773700  1
  O  O7  1  0.57284700  0.90549200  0.78226300  1
  O  O8  1  0.90549200  0.57284700  0.78226300  1
  O  O9  1  0.09450800  0.42715300  0.21773700  1
  O  O10  1  0.76198300  0.76198300  0.21579400  1
  O  O11  1  0.23801700  0.23801700  0.78420600  1
