data_[Li12Ag20Sn8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ag  1.9300  1.6000  1.0867
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [10.5003]
_cell_length_b [14.2142]
_cell_length_c [5.3617]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Li3Ag5Sn2]
_chemical_formula_sum '[Li12 Ag20 Sn8]'
_cell_volume [800.2459]
_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
[
  Li  Li0  8  0.0969  0.3285  0.0000  1
  Li  Li1  4  0.0000  0.0000  0.2500  1
  Ag  Ag2  8  0.2096  0.3294  0.5000  1
  Ag  Ag3  8  0.2415  0.0000  0.2500  1
  Ag  Ag4  4  0.0000  0.5000  0.2500  1
  Sn  Sn5  8  0.0966  0.1590  0.5000  1
]