data_[Li4Y12Sn12]
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 [C2/m]
_cell_length_a [11.3968]
_cell_length_b [4.5606]
_cell_length_c [14.7493]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1629]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li(YSn)3]
_chemical_formula_sum '[Li4 Y12 Sn12]'
_cell_volume [724.1398]
_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  4  0.2386  0.0000  0.3989  1
  Y  Y1  4  0.0335  0.5000  0.3843  1
  Y  Y2  4  0.0948  0.5000  0.9194  1
  Y  Y3  4  0.2411  0.5000  0.2236  1
  Sn  Sn4  4  0.0276  0.0000  0.2361  1
  Sn  Sn5  4  0.1311  0.0000  0.0750  1
  Sn  Sn6  4  0.1371  0.0000  0.5521  1
]