data_[Sm12H2C6S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.9411]
_cell_length_b [3.7846]
_cell_length_c [7.8089]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1503]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6HC3S2]
_chemical_formula_sum '[Sm12 H2 C6 S4]'
_cell_volume [480.9150]
_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  0.0100  0.0000  0.7276  1.0
  Sm  Sm1  4  0.1605  0.5000  0.5998  1.0
  Sm  Sm2  4  0.1752  0.5000  0.0619  1.0
  H  H3  2  0.0000  0.5000  0.0000  1.0
  C  C4  4  0.1672  0.0000  0.8331  1.0
  C  C5  2  0.0000  0.5000  0.5000  1.0
  S  S6  4  0.1626  0.0000  0.3251  1.0
]