# generated using pymatgen
data_AcIrI
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46227751
_cell_length_b   4.46227763
_cell_length_c   12.85800450
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998453
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AcIrI
_chemical_formula_sum   'Ac2 Ir2 I2'
_cell_volume   221.72641548
_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
  Ac  Ac0  1  0.00000000  0.00000000  0.15413473  1.0
  Ac  Ac1  1  0.00000000  0.00000000  0.84586527  1.0
  Ir  Ir2  1  0.33333300  0.66666700  0.00238466  1.0
  Ir  Ir3  1  0.66666700  0.33333300  0.99761534  1.0
  I  I4  1  0.33333300  0.66666700  0.66833186  1.0
  I  I5  1  0.66666700  0.33333300  0.33166814  1.0