# generated using pymatgen
data_BaAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.70975900
_cell_length_b   6.42389900
_cell_length_c   9.83680200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAl
_chemical_formula_sum   'Ba4 Al4'
_cell_volume   297.61260318
_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  0.08593300  0.67861300  1.0
  Ba  Ba1  1  0.75000000  0.91406700  0.32138700  1.0
  Ba  Ba2  1  0.75000000  0.58593300  0.82138700  1.0
  Ba  Ba3  1  0.25000000  0.41406700  0.17861300  1.0
  Al  Al4  1  0.25000000  0.91554800  0.02261200  1.0
  Al  Al5  1  0.75000000  0.08445200  0.97738800  1.0
  Al  Al6  1  0.75000000  0.41554800  0.47738800  1.0
  Al  Al7  1  0.25000000  0.58445200  0.52261200  1.0