# generated using pymatgen
data_BaAl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56328809
_cell_length_b   4.56328852
_cell_length_c   6.53041103
_cell_angle_alpha   110.44984566
_cell_angle_beta   110.44985305
_cell_angle_gamma   90.00000768
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAl4
_chemical_formula_sum   'Ba1 Al4'
_cell_volume   118.22684999
_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  0.75000000  0.25000000  0.50000000  1.0
  Al  Al2  1  0.25000000  0.75000000  0.50000000  1.0
  Al  Al3  1  0.38006063  0.38006063  0.76012025  1.0
  Al  Al4  1  0.61993937  0.61993937  0.23987975  1.0