# generated using pymatgen
data_Ba(AlSi)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.24273618
_cell_length_b   10.15010470
_cell_length_c   10.91187713
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba(AlSi)2
_chemical_formula_sum   'Ba4 Al8 Si8'
_cell_volume   469.91143851
_cell_formula_units_Z   4
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  0.25000000  0.24728971  0.82519286  1.0
  Ba  Ba1  1  0.75000000  0.75271029  0.17480714  1.0
  Ba  Ba2  1  0.25000000  0.74728971  0.67480714  1.0
  Ba  Ba3  1  0.75000000  0.25271029  0.32519286  1.0
  Al  Al4  1  0.25000000  0.60036232  0.95308895  1.0
  Al  Al5  1  0.75000000  0.39963768  0.04691105  1.0
  Al  Al6  1  0.25000000  0.10036232  0.54691105  1.0
  Al  Al7  1  0.75000000  0.89963768  0.45308895  1.0
  Al  Al8  1  0.25000000  0.54103684  0.38216333  1.0
  Al  Al9  1  0.75000000  0.45896316  0.61783667  1.0
  Al  Al10  1  0.25000000  0.04103684  0.11783667  1.0
  Al  Al11  1  0.75000000  0.95896316  0.88216333  1.0
  Si  Si12  1  0.25000000  0.97638791  0.34436007  1.0
  Si  Si13  1  0.75000000  0.02361209  0.65563993  1.0
  Si  Si14  1  0.25000000  0.47638791  0.15563993  1.0
  Si  Si15  1  0.75000000  0.52361209  0.84436007  1.0
  Si  Si16  1  0.25000000  0.35440341  0.54123033  1.0
  Si  Si17  1  0.75000000  0.64559659  0.45876967  1.0
  Si  Si18  1  0.25000000  0.85440341  0.95876967  1.0
  Si  Si19  1  0.75000000  0.14559659  0.04123033  1.0