# generated using pymatgen
data_IrF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41363338
_cell_length_b   5.41349019
_cell_length_c   5.63182490
_cell_angle_alpha   105.24487336
_cell_angle_beta   105.24659937
_cell_angle_gamma   116.94301919
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrF4
_chemical_formula_sum   'Ir2 F8'
_cell_volume   127.17834545
_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  0.74392476  0.24402830  0.50000977  1.0
  Ir  Ir1  1  0.99404717  0.99399219  0.00004322  1.0
  F  F2  1  0.97740019  0.72796661  0.16059639  1.0
  F  F3  1  0.56749777  0.81695858  0.83941925  1.0
  F  F4  1  0.04498650  0.29377532  0.33788458  1.0
  F  F5  1  0.95596196  0.70737126  0.66214744  1.0
  F  F6  1  0.04372998  0.29495734  0.83774402  1.0
  F  F7  1  0.45742091  0.20593786  0.16205079  1.0
  F  F8  1  0.56698268  0.81756206  0.33949111  1.0
  F  F9  1  0.47805207  0.22745248  0.66061442  1.0