data_[Sm8S4Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.3523]
_cell_length_b [6.4839]
_cell_length_c [7.0565]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.0498]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sm2SCl4]
_chemical_formula_sum '[Sm8 S4 Cl16]'
_cell_volume [695.4963]
_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  8  0.1069  0.2077  0.5773  1.0
  S  S1  4  0.0000  0.0631  0.2500  1.0
  Cl  Cl2  8  0.0880  0.3963  0.9239  1.0
  Cl  Cl3  8  0.2194  0.0802  0.3211  1.0
]