# generated using pymatgen
data_BaAl5Ir2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.87458610
_cell_length_b   6.87458548
_cell_length_c   6.87458580
_cell_angle_alpha   144.00408576
_cell_angle_beta   116.38234658
_cell_angle_gamma   75.32012897
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAl5Ir2
_chemical_formula_sum   'Ba1 Al5 Ir2'
_cell_volume   167.55190245
_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
  Ba  Ba0  1  0.00000000  0.00000000  0.00000000  1.0
  Al  Al1  1  0.50193755  0.31465682  0.18728073  1.0
  Al  Al2  1  0.87262491  0.68534318  0.18728073  1.0
  Al  Al3  1  0.50000100  0.00000000  0.50000100  1.0
  Al  Al4  1  0.12737609  0.31465682  0.81271927  1.0
  Al  Al5  1  0.49806245  0.68534218  0.81271927  1.0
  Ir  Ir6  1  0.71466088  0.21465988  0.50000100  1.0
  Ir  Ir7  1  0.28533912  0.78533912  0.49999900  1.0