[CIF]
data_Ba2AlSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.07558232
_cell_length_b   4.07558232
_cell_length_c   8.32792946
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2AlSe
_chemical_formula_sum   'Ba2 Al1 Se1'
_cell_volume   138.33000027
_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
  Al  Al0  1  0.00000000  0.00000000  0.00000000  1
  Ba  Ba1  1  2.03779116  2.03779116  2.24126234  1
  Ba  Ba2  1  2.03779116  2.03779116  6.08666712  1
  Se  Se3  1  0.00000000  0.00000000  4.16396473  1
[/CIF]
