data_[Sm4S8Br8]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.6197]
_cell_length_b [13.7940]
_cell_length_c [7.9906]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3963]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm(SBr)2]
_chemical_formula_sum '[Sm4 S8 Br8]'
_cell_volume [805.7063]
_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  0.1704  0.5000  1.0
  S  S1  4  0.0884  0.0000  0.7234  1.0
  S  S2  4  0.2343  0.0000  0.5526  1.0
  Br  Br3  8  0.2059  0.2293  0.2585  1.0
]