data_[Ba6Sr2Li6]
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 [Pm-3n]
_cell_length_a [9.3794]
_cell_length_b [9.3794]
_cell_length_c [9.3794]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [223]
_chemical_formula_structural [Ba3SrLi3]
_chemical_formula_sum '[Ba6 Sr2 Li6]'
_cell_volume [825.1286]
_cell_formula_units_Z [2]
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  6  0.0000  0.5000  0.2500  1
  Sr  Sr1  2  0.0000  0.0000  0.0000  1
  Li  Li2  6  0.0000  0.2500  0.5000  1
]