# generated using pymatgen
data_Al2CuIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.04726200
_cell_length_b   10.04726200
_cell_length_c   10.04726200
_cell_angle_alpha   123.57248935
_cell_angle_beta   118.82745932
_cell_angle_gamma   87.98476979
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CuIr
_chemical_formula_sum   'Al2 Cu1 Ir1'
_cell_volume   702.12261366
_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
  Al  Al0  1  0.00000000  0.25277100  0.25277100  1.0
  Al  Al1  1  0.00000000  0.74722900  0.74722900  1.0
  Cu  Cu2  1  0.00000000  0.00000000  0.00000000  1.0
  Ir  Ir3  1  0.00000000  0.50000000  0.50000000  1.0