# generated using pymatgen
data_Al3Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27012569
_cell_length_b   4.27012564
_cell_length_c   7.74077817
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000043
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ir
_chemical_formula_sum   'Al6 Ir2'
_cell_volume   122.23527791
_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
  Al  Al0  1  0.00000000  -0.00000000  0.25000000  1.0
  Al  Al1  1  -0.00000000  -0.00000000  0.75000000  1.0
  Al  Al2  1  0.33333300  0.66666700  0.57989058  1.0
  Al  Al3  1  0.66666700  0.33333300  0.07989058  1.0
  Al  Al4  1  0.66666700  0.33333300  0.42010942  1.0
  Al  Al5  1  0.33333300  0.66666700  0.92010942  1.0
  Ir  Ir6  1  0.33333300  0.66666700  0.25000000  1.0
  Ir  Ir7  1  0.66666700  0.33333300  0.75000000  1.0