data_Ba2Li
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.9
_cell_length_b   7.9
_cell_length_c   12.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Li
_chemical_formula_sum   'Ba8 Li4'
_cell_volume   689.05
_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  0.0  0.0  0.37  1.0
  Ba  Ba1  1  0.0  0.0  0.0  1.0
  Ba  Ba2  1  0.91  0.66  0.56  1.0
  Ba  Ba3  1  0.04  0.18  0.19  1.0
  Ba  Ba4  1  0.09  0.66  0.56  1.0
  Ba  Ba5  1  0.0  0.36  0.56  1.0
  Ba  Ba6  1  0.95  0.48  0.19  1.0
  Ba  Ba7  1  0.86  0.18  0.19  1.0
  Li  Li8  1  0.95  0.28  0.05  1.0
  Li  Li9  1  0.0  0.56  0.67  1.0
  Li  Li10  1  0.0  0.56  0.7  1.0
  Li  Li11  1  0.95  0.28  0.07  1.0

data_Ba2Li
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.9
_cell_length_b   7.9
_cell_length_c   12.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Li
_chemical_formula_sum   'Ba8 Li4'
_cell_volume   689.05
_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  0.0  0.0  0.0  1.0
  Ba  Ba1  1  0.0  0.0  0.37  1.0
  Ba  Ba2  1  0.0  0.36  0.56  1.0
  Ba  Ba3  1  0.04  0.18  0.19  1.0
  Ba  Ba4  1  0.09  0.66  0.56  1.0
  Ba  Ba5  1  0.86  0.18  0.19  1.0
  Ba  Ba6  1  0.91  0.66  0.56  1.0
  Ba  Ba7  1  0.95  0.48  0.19  1.0
  Li  Li8  1  0.0  0.56  0.67  1.0
  Li  Li9  1  0.0  0.56  0.7  1.0
  Li  Li10  1  0.95  0.28  0.05  1.0
  Li  Li11  1  0.95  0.28  0.07  1.0

Ba Ba Ba Ba Ba Ba Ba Ba Li Li Li Li