# generated using pymatgen
data_Ir(IF)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.48332995
_cell_length_b   6.48332978
_cell_length_c   6.48333074
_cell_angle_alpha   106.35567386
_cell_angle_beta   112.78936362
_cell_angle_gamma   109.33290743
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ir(IF)2
_chemical_formula_sum   'Ir2 I4 F4'
_cell_volume   209.12008661
_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
  Ir  Ir0  1  1.00000000  0.24993256  0.24993256  1.0
  Ir  Ir1  1  0.00000000  0.75006744  0.75006744  1.0
  I  I2  1  0.76257136  0.76257136  0.00000000  1.0
  I  I3  1  0.23742864  0.23742864  1.00000000  1.0
  I  I4  1  0.76248718  0.26248718  0.50000000  1.0
  I  I5  1  0.23751282  0.73751282  0.50000000  1.0
  F  F6  1  0.72200244  0.24995555  0.97195799  1.0
  F  F7  1  0.27799756  0.24995555  0.52795311  1.0
  F  F8  1  0.72200244  0.75004445  0.47204689  1.0
  F  F9  1  0.27799756  0.75004445  0.02804201  1.0