# generated using pymatgen
data_Ir(BrF)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05908947
_cell_length_b   5.05909039
_cell_length_c   3.65012576
_cell_angle_alpha   90.00920714
_cell_angle_beta   90.00920244
_cell_angle_gamma   90.41597940
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ir(BrF)2
_chemical_formula_sum   'Ir1 Br2 F2'
_cell_volume   93.42028098
_cell_formula_units_Z   1
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  0.00000000  0.00000000  0.00000000  1.0
  Br  Br1  1  0.23181620  0.23181620  0.50035328  1.0
  Br  Br2  1  0.76818380  0.76818380  0.49964672  1.0
  F  F3  1  0.72754184  0.27245816  0.00000000  1.0
  F  F4  1  0.27245816  0.72754184  1.00000000  1.0