data_[Sm4Ag4Sn4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ag  1.9300  1.6000  1.0867
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.6191]
_cell_length_b [4.0995]
_cell_length_c [13.0391]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [SmAgSnS3]
_chemical_formula_sum '[Sm4 Ag4 Sn4 S12]'
_cell_volume [567.6304]
_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  0.0197  0.2500  0.7691  1
  Ag  Ag1  4  0.2349  0.2500  0.2799  1
  Sn  Sn2  4  0.1915  0.7500  0.5106  1
  S  S3  4  0.0356  0.2500  0.3873  1
  S  S4  4  0.0811  0.7500  0.8969  1
  S  S5  4  0.2417  0.7500  0.1577  1
]