# generated using pymatgen
data_Ba3(AlAu)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.91550328
_cell_length_b   6.91550320
_cell_length_c   12.24681323
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   105.76895435
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3(AlAu)4
_chemical_formula_sum   'Ba6 Al8 Au8'
_cell_volume   563.65149986
_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  0.21688450  0.78311550  0.50000000  1.0
  Ba  Ba1  1  0.21688450  0.78311550  0.00000000  1.0
  Ba  Ba2  1  0.78311550  0.21688450  0.50000000  1.0
  Ba  Ba3  1  0.78311550  0.21688450  0.00000000  1.0
  Ba  Ba4  1  0.99070706  0.99070706  0.25000000  1.0
  Ba  Ba5  1  0.00929294  0.00929294  0.75000000  1.0
  Al  Al6  1  0.48640956  0.75654933  0.25000000  1.0
  Al  Al7  1  0.24345067  0.51359044  0.75000000  1.0
  Al  Al8  1  0.51359044  0.24345067  0.75000000  1.0
  Al  Al9  1  0.75654933  0.48640956  0.25000000  1.0
  Al  Al10  1  0.37366409  0.37366409  0.36944334  1.0
  Al  Al11  1  0.62633591  0.62633591  0.63055666  1.0
  Al  Al12  1  0.37366409  0.37366409  0.13055666  1.0
  Al  Al13  1  0.62633591  0.62633591  0.86944334  1.0
  Au  Au14  1  0.50941697  0.12534411  0.25000000  1.0
  Au  Au15  1  0.87465589  0.49058303  0.75000000  1.0
  Au  Au16  1  0.49058303  0.87465589  0.75000000  1.0
  Au  Au17  1  0.12534411  0.50941697  0.25000000  1.0
  Au  Au18  1  0.32083943  0.32083943  0.92711746  1.0
  Au  Au19  1  0.67916057  0.67916057  0.07288254  1.0
  Au  Au20  1  0.32083943  0.32083943  0.57288254  1.0
  Au  Au21  1  0.67916057  0.67916057  0.42711746  1.0