data_[Ba9Sr3Li24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  Li  0.9800  1.4500  0.9000
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [6.5913]
_cell_length_b [6.5913]
_cell_length_c [32.2732]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ba3SrLi8]
_chemical_formula_sum '[Ba9 Sr3 Li24]'
_cell_volume [1214.2706]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0001  1.0
  Ba  Ba1  3  0.0000  0.0000  0.4998  1.0
  Ba  Ba2  3  0.0000  0.0000  0.6254  1.0
  Sr  Sr3  3  0.0000  0.0000  0.1247  1.0
  Li  Li4  9  0.1681  0.3362  0.8949  1.0
  Li  Li5  9  0.1682  0.3364  0.3971  1.0
  Li  Li6  3  0.0000  0.0000  0.3130  1.0
  Li  Li7  3  0.0000  0.0000  0.8111  1.0
]