data_[Li12Y8Sn16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Y  1.2200  1.8000  1.0400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [6.2519]
_cell_length_b [16.0019]
_cell_length_c [8.0314]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Li3(YSn2)2]
_chemical_formula_sum '[Li12 Y8 Sn16]'
_cell_volume [803.4868]
_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  0.2500  0.2281  0.2500  1.0
  Li  Li1  4  0.0000  0.0000  0.0000  1.0
  Y  Y2  8  0.0000  0.1073  0.5977  1.0
  Sn  Sn3  8  0.0000  0.1785  0.9767  1.0
  Sn  Sn4  8  0.2500  0.0553  0.2500  1.0
]