data_[La8Th4Sn12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Th  1.3000  1.8000  1.0800
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.9727]
_cell_length_b [13.8889]
_cell_length_c [7.9280]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8775]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La2ThSn3]
_chemical_formula_sum '[La8 Th4 Sn12]'
_cell_volume [825.5845]
_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
[
  La  La0  4  0.0000  0.0827  0.2500  1
  La  La1  4  0.0000  0.2467  0.7500  1
  Th  Th2  4  0.0000  0.4141  0.2500  1
  Sn  Sn3  8  0.2395  0.4194  0.9978  1
  Sn  Sn4  4  0.2500  0.2500  0.5000  1
]