data_[Ba4Sr12Li4]
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 [C2/m]
_cell_length_a [14.1416]
_cell_length_b [10.1900]
_cell_length_c [9.3725]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.2657]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaSr3Li]
_chemical_formula_sum '[Ba4 Sr12 Li4]'
_cell_volume [1060.4230]
_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  4  0.0387  0.0000  0.2878  1
  Sr  Sr1  8  0.2038  0.7051  0.7379  1
  Sr  Sr2  4  0.0727  0.5000  0.2655  1
  Li  Li3  4  0.2274  0.5000  0.0680  1
]