data_[Sm12Si6Sn3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Si  1.9000  1.1000  0.5400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.7839]
_cell_length_b [4.7839]
_cell_length_c [30.5616]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sm4Si2Sn]
_chemical_formula_sum '[Sm12 Si6 Sn3]'
_cell_volume [605.7155]
_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
[
  Sm  Sm0  6  0.0000  0.0000  0.1158  1
  Sm  Sm1  6  0.0000  0.0000  0.2980  1
  Si  Si2  6  0.0000  0.0000  0.4022  1
  Sn  Sn3  3  -0.0000  -0.0000  0.5000  1
]