data_[Ba24Li16]
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 [Fdd2]
_cell_length_a [16.0118]
_cell_length_b [26.8771]
_cell_length_c [4.3160]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [Ba3Li2]
_chemical_formula_sum '[Ba24 Li16]'
_cell_volume [1857.3999]
_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  16  0.0976  0.3610  0.7332  1.0
  Ba  Ba1  8  0.0000  0.0000  0.9517  1.0
  Li  Li2  16  0.0463  0.2222  0.7909  1.0
]