data_[Li6Sm3Th6Sn6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sm  1.1700  1.8500  1.2290
  Th  1.3000  1.8000  1.0800
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.8229]
_cell_length_b [4.8229]
_cell_length_c [27.4328]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Li2Sm(ThSn)2]
_chemical_formula_sum '[Li6 Sm3 Th6 Sn6]'
_cell_volume [552.6043]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.4019  1
  Sm  Sm1  3  0.0000  0.0000  0.0000  1
  Th  Th2  6  0.0000  0.0000  0.1309  1
  Sn  Sn3  6  0.0000  0.0000  0.2655  1
]