# generated using pymatgen
data_Sr3ZnIrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.76481868
_cell_length_b   6.76481868
_cell_length_c   6.76481905
_cell_angle_alpha   91.43518730
_cell_angle_beta   91.43518730
_cell_angle_gamma   91.43518419
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3ZnIrO6
_chemical_formula_sum   'Sr6 Zn2 Ir2 O12'
_cell_volume   309.28056411
_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  0.25000000  0.61229500  0.88770500  1.0
  Sr  Sr1  1  0.88770500  0.25000000  0.61229500  1.0
  Sr  Sr2  1  0.61229500  0.88770500  0.25000000  1.0
  Sr  Sr3  1  0.75000000  0.38770500  0.11229500  1.0
  Sr  Sr4  1  0.11229500  0.75000000  0.38770500  1.0
  Sr  Sr5  1  0.38770500  0.11229500  0.75000000  1.0
  Zn  Zn6  1  0.75000000  0.75000000  0.75000000  1.0
  Zn  Zn7  1  0.25000000  0.25000000  0.25000000  1.0
  Ir  Ir8  1  0.50000000  0.50000000  0.50000000  1.0
  Ir  Ir9  1  0.00000000  0.00000000  0.00000000  1.0
  O  O10  1  0.09415500  0.28467700  0.95957300  1.0
  O  O11  1  0.95957300  0.09415500  0.28467700  1.0
  O  O12  1  0.28467700  0.95957300  0.09415500  1.0
  O  O13  1  0.40584500  0.54042700  0.21532300  1.0
  O  O14  1  0.21532300  0.40584500  0.54042700  1.0
  O  O15  1  0.54042700  0.21532300  0.40584500  1.0
  O  O16  1  0.90584500  0.71532300  0.04042700  1.0
  O  O17  1  0.04042700  0.90584500  0.71532300  1.0
  O  O18  1  0.71532300  0.04042700  0.90584500  1.0
  O  O19  1  0.59415500  0.45957300  0.78467700  1.0
  O  O20  1  0.45957300  0.78467700  0.59415500  1.0
  O  O21  1  0.78467700  0.59415500  0.45957300  1.0