data_[Sm4Si4S12]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.6016]
_cell_length_b [7.3987]
_cell_length_c [10.9956]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.0419]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [SmSiS3]
_chemical_formula_sum '[Sm4 Si4 S12]'
_cell_volume [445.0212]
_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  0.2872  0.1271  0.7476  1.0
  Si  Si1  4  0.3518  0.6037  0.9315  1.0
  S  S2  4  0.0852  0.0180  0.2288  1.0
  S  S3  4  0.2141  0.6862  0.0578  1.0
  S  S4  4  0.4341  0.1802  0.0716  1.0
]