data_[Li6Sm3Th6Pb6]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.8826]
_cell_length_b [4.8826]
_cell_length_c [27.6221]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Li2Sm(ThPb)2]
_chemical_formula_sum '[Li6 Sm3 Th6 Pb6]'
_cell_volume [570.2823]
_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  0.4048  1
  Sm  Sm1  3  0.0000  0.0000  0.0000  1
  Th  Th2  6  0.0000  0.0000  0.1316  1
  Pb  Pb3  6  0.0000  0.0000  0.2667  1
]