data_[Ba4Li16Sn4]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.0404]
_cell_length_b [22.3979]
_cell_length_c [5.7745]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [BaLi4Sn]
_chemical_formula_sum '[Ba4 Li16 Sn4]'
_cell_volume [651.9126]
_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  0.0000  0.4060  0.2500  1
  Li  Li1  8  0.0000  0.2122  0.0114  1
  Li  Li2  4  0.0000  0.0000  0.0000  1
  Li  Li3  4  0.0000  0.3294  0.7500  1
  Sn  Sn4  4  0.0000  0.1025  0.2500  1
]