data_[Li4Th12Sn12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Th  1.3000  1.8000  1.0800
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.7391]
_cell_length_b [4.5431]
_cell_length_c [15.4595]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6949]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li(ThSn)3]
_chemical_formula_sum '[Li4 Th12 Sn12]'
_cell_volume [776.2601]
_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  0.2363  0.0000  0.3988  1
  Th  Th1  4  0.0245  0.5000  0.3830  1
  Th  Th2  4  0.0994  0.5000  0.9189  1
  Th  Th3  4  0.2475  0.5000  0.2289  1
  Sn  Sn4  4  0.0320  0.0000  0.2376  1
  Sn  Sn5  4  0.1265  0.0000  0.0757  1
  Sn  Sn6  4  0.1421  0.0000  0.5487  1
]