# generated using pymatgen
data_CaAcAlIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84669984
_cell_length_b   5.84670014
_cell_length_c   5.84669896
_cell_angle_alpha   139.20990223
_cell_angle_beta   118.90356278
_cell_angle_gamma   76.08719663
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaAcAlIr2
_chemical_formula_sum   'Ca1 Ac1 Al1 Ir2'
_cell_volume   111.51838831
_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
  Ca  Ca0  1  0.30227504  0.80227404  0.49999900  1.0
  Ac  Ac1  1  0.69441092  0.19441092  0.50000000  1.0
  Al  Al2  1  0.00253957  0.00253957  1.00000000  1.0
  Ir  Ir3  1  0.74842364  0.50038674  0.24803691  1.0
  Ir  Ir4  1  0.25234983  0.50038574  0.75196309  1.0