data_[Sm12Rh4Se2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Rh  2.2800  1.3500  0.7450
  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 [18.0225]
_cell_length_b [3.9992]
_cell_length_c [8.3993]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6175]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6Rh2SeS3]
_chemical_formula_sum '[Sm12 Rh4 Se2 S6]'
_cell_volume [583.0322]
_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  0.0065  0.0000  0.2639  1
  Sm  Sm1  4  0.1681  0.5000  0.5854  1
  Sm  Sm2  4  0.1730  0.5000  0.1047  1
  Rh  Rh3  4  0.1705  0.0000  0.3429  1
  Se  Se4  2  0.0000  0.5000  0.0000  1
  S  S5  4  0.1597  0.0000  0.8423  1
  S  S6  2  0.0000  0.5000  0.5000  1
]