# generated using pymatgen
data_IrI
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.02026335
_cell_length_b   4.02026335
_cell_length_c   7.53717900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998926
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrI
_chemical_formula_sum   'Ir2 I2'
_cell_volume   105.49904129
_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  0.66666700  0.33333300  0.86011700  1.0
  Ir  Ir1  1  0.33333300  0.66666700  0.36011700  1.0
  I  I2  1  0.66666700  0.33333300  0.51488400  1.0
  I  I3  1  0.33333300  0.66666700  0.01488400  1.0