# generated using pymatgen
data_LiIrO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54626410
_cell_length_b   5.54626410
_cell_length_c   9.41359807
_cell_angle_alpha   83.95519040
_cell_angle_beta   83.95519040
_cell_angle_gamma   120.26699988
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiIrO2
_chemical_formula_sum   'Li6 Ir6 O12'
_cell_volume   244.44345100
_cell_formula_units_Z   6
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  0.59118900  0.40881100  0.25000000  1
  Li  Li1  1  0.40881100  0.59118900  0.75000000  1
  Li  Li2  1  0.91688300  0.08311700  0.25000000  1
  Li  Li3  1  0.08311700  0.91688300  0.75000000  1
  Li  Li4  1  0.27136500  0.72863500  0.25000000  1
  Li  Li5  1  0.72863500  0.27136500  0.75000000  1
  Ir  Ir6  1  0.50000000  0.00000000  0.50000000  1
  Ir  Ir7  1  0.00000000  0.50000000  0.00000000  1
  Ir  Ir8  1  0.66777500  0.83441100  0.99821200  1
  Ir  Ir9  1  0.33222500  0.16558900  0.00178800  1
  Ir  Ir10  1  0.16558900  0.33222500  0.50178800  1
  Ir  Ir11  1  0.83441100  0.66777500  0.49821200  1
  O  O12  1  0.79246600  0.95724800  0.60709000  1
  O  O13  1  0.20753400  0.04275200  0.39291000  1
  O  O14  1  0.04275200  0.20753400  0.89291000  1
  O  O15  1  0.95724800  0.79246600  0.10709000  1
  O  O16  1  0.62858600  0.12557500  0.10807500  1
  O  O17  1  0.37141400  0.87442500  0.89192500  1
  O  O18  1  0.87442500  0.37141400  0.39192500  1
  O  O19  1  0.12557500  0.62858600  0.60807500  1
  O  O20  1  0.53806300  0.70590500  0.39208800  1
  O  O21  1  0.46193700  0.29409500  0.60791200  1
  O  O22  1  0.29409500  0.46193700  0.10791200  1
  O  O23  1  0.70590500  0.53806300  0.89208800  1
