data_[Sm4B4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  B  2.0400  0.8500  0.4100
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7294]
_cell_length_b [8.1738]
_cell_length_c [4.3321]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.6954]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmBS3]
_chemical_formula_sum '[Sm4 B4 S12]'
_cell_volume [379.5026]
_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  0.2158  0.0000  0.2387  1
  B  B1  4  0.0000  0.3345  0.5000  1
  S  S2  8  0.1241  0.2084  0.7233  1
  S  S3  4  0.0929  0.5000  0.2798  1
]