# generated using pymatgen
data_BaIrF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95026358
_cell_length_b   4.95026424
_cell_length_c   4.95026392
_cell_angle_alpha   98.07528459
_cell_angle_beta   98.07528771
_cell_angle_gamma   98.07530024
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaIrF6
_chemical_formula_sum   'Ba1 Ir1 F6'
_cell_volume   117.31418806
_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
  Ba  Ba0  1  0.50000000  0.50000000  0.50000000  1.0
  Ir  Ir1  1  0.00000000  0.00000000  -0.00000000  1.0
  F  F2  1  0.73762149  0.69554233  0.07179483  1.0
  F  F3  1  0.26237851  0.30445767  0.92820517  1.0
  F  F4  1  0.92820517  0.26237851  0.30445767  1.0
  F  F5  1  0.30445767  0.92820517  0.26237851  1.0
  F  F6  1  0.07179483  0.73762149  0.69554233  1.0
  F  F7  1  0.69554233  0.07179483  0.73762149  1.0