data_[Sm12C4Se2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  C  2.5500  0.7000  0.3000
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.2327]
_cell_length_b [3.8978]
_cell_length_c [8.0559]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3420]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6C2SeS3]
_chemical_formula_sum '[Sm12 C4 Se2 S6]'
_cell_volume [526.5117]
_cell_formula_units_Z [2]
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  0.0172  0.0000  0.2697  1.0
  Sm  Sm1  4  0.1735  0.5000  0.1221  1.0
  Sm  Sm2  4  0.1753  0.5000  0.5660  1.0
  C  C3  4  0.1685  0.0000  0.3352  1.0
  Se  Se4  2  0.0000  0.5000  0.0000  1.0
  S  S5  4  0.1617  0.0000  0.8350  1.0
  S  S6  2  0.0000  0.5000  0.5000  1.0
]