data_[Sm12Te2C4S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Te  2.1000  1.4000  1.2933
  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 [17.4151]
_cell_length_b [3.9370]
_cell_length_c [8.1919]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1454]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6TeC2S3]
_chemical_formula_sum '[Sm12 Te2 C4 S6]'
_cell_volume [549.0896]
_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  0.0228  0.0000  0.2843  1.0
  Sm  Sm1  4  0.1759  0.5000  0.5683  1.0
  Sm  Sm2  4  0.1784  0.5000  0.1301  1.0
  Te  Te3  2  0.0000  0.5000  0.0000  1.0
  C  C4  4  0.1710  0.0000  0.3398  1.0
  S  S5  4  0.1611  0.0000  0.8354  1.0
  S  S6  2  0.0000  0.5000  0.5000  1.0
]