# generated using pymatgen
data_Sr3LiIrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.75298515
_cell_length_b   6.75298515
_cell_length_c   6.75298474
_cell_angle_alpha   92.19135935
_cell_angle_beta   92.19135935
_cell_angle_gamma   92.19136271
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3LiIrO6
_chemical_formula_sum   'Sr6 Li2 Ir2 O12'
_cell_volume   307.26169080
_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
  Sr  Sr0  1  0.39175400  0.10824600  0.75000000  1
  Sr  Sr1  1  0.10824600  0.75000000  0.39175400  1
  Sr  Sr2  1  0.25000000  0.60824600  0.89175400  1
  Sr  Sr3  1  0.89175400  0.25000000  0.60824600  1
  Sr  Sr4  1  0.60824600  0.89175400  0.25000000  1
  Sr  Sr5  1  0.75000000  0.39175400  0.10824600  1
  Li  Li6  1  0.75000000  0.75000000  0.75000000  1
  Li  Li7  1  0.25000000  0.25000000  0.25000000  1
  Ir  Ir8  1  0.50000000  0.50000000  0.50000000  1
  Ir  Ir9  1  0.00000000  0.00000000  0.00000000  1
  O  O10  1  0.28134900  0.95279800  0.08442400  1
  O  O11  1  0.41557600  0.54720200  0.21865100  1
  O  O12  1  0.21865100  0.41557600  0.54720200  1
  O  O13  1  0.54720200  0.21865100  0.41557600  1
  O  O14  1  0.08442400  0.28134900  0.95279800  1
  O  O15  1  0.95279800  0.08442400  0.28134900  1
  O  O16  1  0.91557600  0.71865100  0.04720200  1
  O  O17  1  0.04720200  0.91557600  0.71865100  1
  O  O18  1  0.45279800  0.78134900  0.58442400  1
  O  O19  1  0.78134900  0.58442400  0.45279800  1
  O  O20  1  0.58442400  0.45279800  0.78134900  1
  O  O21  1  0.71865100  0.04720200  0.91557600  1
