data_[Sm8Al4Ag4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Al  1.6100  1.2500  0.6750
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.8523]
_cell_length_b [17.5068]
_cell_length_c [11.2432]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sm2AlAgS5]
_chemical_formula_sum '[Sm8 Al4 Ag4 S20]'
_cell_volume [758.2618]
_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  0.1181  0.6814  1.0
  Sm  Sm1  4  0.0000  0.1252  0.2984  1.0
  Al  Al2  4  0.0000  0.4319  0.4541  1.0
  Ag  Ag3  4  0.0000  0.2260  0.0212  1.0
  S  S4  4  0.0000  0.0410  0.0594  1.0
  S  S5  4  0.0000  0.2919  0.6812  1.0
  S  S6  4  0.0000  0.3210  0.3529  1.0
  S  S7  4  0.0000  0.3689  0.9964  1.0
  S  S8  4  0.0000  0.4975  0.2792  1.0
]