data_[Sm4Sn4Pb8S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Sn  1.9600  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1688]
_cell_length_b [17.5618]
_cell_length_c [12.9922]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [SmSnPb2S5]
_chemical_formula_sum '[Sm4 Sn4 Pb8 S20]'
_cell_volume [951.1756]
_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
[
  Sm  Sm0  4  0.0000  0.2189  0.0119  1
  Sn  Sn1  4  0.0000  0.4641  0.4541  1
  Pb  Pb2  4  0.0000  0.1178  0.6733  1
  Pb  Pb3  4  0.0000  0.1296  0.2828  1
  S  S4  4  0.0000  0.0585  0.0710  1
  S  S5  4  0.0000  0.2783  0.6601  1
  S  S6  4  0.0000  0.3221  0.3780  1
  S  S7  4  0.0000  0.3749  0.0211  1
  S  S8  4  0.0000  0.4839  0.7717  1
]