data_Ba2LaAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.43
_cell_length_b   6.43
_cell_length_c   6.43
_cell_angle_alpha   130.73
_cell_angle_beta   130.73
_cell_angle_gamma   72.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2LaAl
_chemical_formula_sum   'Ba2 La1 Al1'
_cell_volume   149.44
_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  Ba1  1  0.68  0.0  0.6  1.0
  Ba  Ba2  1  0.0  0.0  0.2  1.0
  La  La3  1  0.0  0.68  0.6  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0

data_Ba2LaAl
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   6.43
_cell_angle_alpha   114.63
_cell_angle_beta   114.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2LaAl
_chemical_formula_sum   'Ba2 La1 Al1'
_cell_volume   149.44
_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  0.4  0.0  0.08  1.0
  Ba  Ba1  1  0.8  0.0  0.8  1.0
  La  La2  1  0.08  0.68  0.08  1.0
  Al  Al3  1  0.0  0.0  0.0  1.0

Ba Ba La Al