# generated using pymatgen
data_Sr2Ir2O6F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.39598750
_cell_length_b   7.39437362
_cell_length_c   7.39437360
_cell_angle_alpha   60.01510804
_cell_angle_beta   59.99280195
_cell_angle_gamma   59.99280085
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2Ir2O6F
_chemical_formula_sum   'Sr4 Ir4 O12 F2'
_cell_volume   285.94745816
_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  0.12500000  0.12500000  0.62500000  1.0
  Sr  Sr1  1  0.12500000  0.62500000  0.12500000  1.0
  Sr  Sr2  1  0.62500000  0.12500000  0.12500000  1.0
  Sr  Sr3  1  0.12500000  0.12500000  0.12500000  1.0
  Ir  Ir4  1  0.62500000  0.62500000  0.12500000  1.0
  Ir  Ir5  1  0.62500000  0.12500000  0.62500000  1.0
  Ir  Ir6  1  0.12500000  0.62500000  0.62500000  1.0
  Ir  Ir7  1  0.62500000  0.62500000  0.62500000  1.0
  O  O8  1  0.30089824  0.30091396  0.69909330  1.0
  O  O9  1  0.69909973  0.69909430  0.30090644  1.0
  O  O10  1  0.94931508  0.55069423  0.55069423  1.0
  O  O11  1  0.69930417  0.30069615  0.30069615  1.0
  O  O12  1  0.55090027  0.94909356  0.55090570  1.0
  O  O13  1  0.55090027  0.55090570  0.94909356  1.0
  O  O14  1  0.30068492  0.69930577  0.69930577  1.0
  O  O15  1  0.94910176  0.55090670  0.94908604  1.0
  O  O16  1  0.55069583  0.94930385  0.94930385  1.0
  O  O17  1  0.69909973  0.30090644  0.69909430  1.0
  O  O18  1  0.30089824  0.69909330  0.30091396  1.0
  O  O19  1  0.94910176  0.94908604  0.55090670  1.0
  F  F20  1  0.24999925  0.25000108  0.25000108  1.0
  F  F21  1  0.00000075  0.99999892  0.99999892  1.0