data_[Ba8Li8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [7.8052]
_cell_length_b [7.9847]
_cell_length_c [11.4645]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [BaLi]
_chemical_formula_sum '[Ba8 Li8]'
_cell_volume [714.4934]
_cell_formula_units_Z [8]
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  4  0.1042  0.2600  0.3492  1.0
  Ba  Ba1  4  0.1856  0.2289  0.9569  1.0
  Li  Li2  4  0.0903  0.0624  0.6657  1.0
  Li  Li3  4  0.1474  0.4265  0.6565  1.0
]