data_[Ba4Sr4Li4]
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 [17.9141]
_cell_length_b [4.6523]
_cell_length_c [7.1178]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0243]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaSrLi]
_chemical_formula_sum '[Ba4 Sr4 Li4]'
_cell_volume [577.9525]
_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  0.1467  0.0000  0.3306  1.0
  Sr  Sr1  4  0.0738  0.5000  0.7868  1.0
  Li  Li2  4  0.2324  0.0000  0.8771  1.0
]