# generated using pymatgen
data_BaAl3CuIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.79795958
_cell_length_b   6.79799448
_cell_length_c   5.30028504
_cell_angle_alpha   90.16081357
_cell_angle_beta   89.83955238
_cell_angle_gamma   72.75951729
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAl3CuIr
_chemical_formula_sum   'Ba2 Al6 Cu2 Ir2'
_cell_volume   233.93144032
_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
  Ba  Ba0  1  0.14492521  0.85507830  0.25184520  1.0
  Ba  Ba1  1  0.85508119  0.14492367  0.74815233  1.0
  Al  Al2  1  0.56826472  0.02351503  0.24033628  1.0
  Al  Al3  1  0.56840271  0.43159576  0.23965688  1.0
  Al  Al4  1  0.97648059  0.43173547  0.24033534  1.0
  Al  Al5  1  0.02351574  0.56826554  0.75966424  1.0
  Al  Al6  1  0.43159086  0.56840539  0.76033861  1.0
  Al  Al7  1  0.43173269  0.97648258  0.75966218  1.0
  Cu  Cu8  1  0.30438226  0.30437558  0.50000561  1.0
  Cu  Cu9  1  0.69561861  0.69561449  0.49999612  1.0
  Ir  Ir10  1  0.30534874  0.30534918  0.99999841  1.0
  Ir  Ir11  1  0.69465166  0.69465401  0.00000180  1.0