# generated using pymatgen
data_Ba3Al5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07529737
_cell_length_b   6.07529961
_cell_length_c   14.81157321
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000470
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3Al5
_chemical_formula_sum   'Ba6 Al10'
_cell_volume   473.44228255
_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  0.00000000  0.00000000  0.50000000  1.0
  Ba  Ba1  1  0.00000000  0.00000000  -0.00000000  1.0
  Ba  Ba2  1  0.33333300  0.66666700  0.87399330  1.0
  Ba  Ba3  1  0.66666700  0.33333300  0.37399330  1.0
  Ba  Ba4  1  0.66666700  0.33333300  0.12600670  1.0
  Ba  Ba5  1  0.33333300  0.66666700  0.62600670  1.0
  Al  Al6  1  0.84513673  0.69027245  0.75000000  1.0
  Al  Al7  1  0.15486327  0.84513673  0.25000000  1.0
  Al  Al8  1  0.69027245  0.84513673  0.25000000  1.0
  Al  Al9  1  0.30972755  0.15486327  0.75000000  1.0
  Al  Al10  1  0.84513673  0.15486327  0.75000000  1.0
  Al  Al11  1  0.15486327  0.30972755  0.25000000  1.0
  Al  Al12  1  0.33333300  0.66666700  0.11714932  1.0
  Al  Al13  1  0.66666700  0.33333300  0.61714932  1.0
  Al  Al14  1  0.66666700  0.33333300  0.88285068  1.0
  Al  Al15  1  0.33333300  0.66666700  0.38285068  1.0