data_[Sm8Ag4S12]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.3582]
_cell_length_b [3.9178]
_cell_length_c [13.1802]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Sm2AgS3]
_chemical_formula_sum '[Sm8 Ag4 S12]'
_cell_volume [534.8751]
_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  0.0218  0.2500  0.7427  1
  Sm  Sm1  4  0.2149  0.7500  0.0185  1
  Ag  Ag2  4  0.2285  0.2500  0.2362  1
  S  S3  4  0.0417  0.2500  0.1072  1
  S  S4  4  0.1030  0.7500  0.6005  1
  S  S5  4  0.2339  0.7500  0.3601  1
]