data_[Sm12Te6C4S2]
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 [18.3882]
_cell_length_b [3.9998]
_cell_length_c [8.5268]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0228]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6Te3C2S]
_chemical_formula_sum '[Sm12 Te6 C4 S2]'
_cell_volume [599.6564]
_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  0.0254  0.0000  0.2465  1.0
  Sm  Sm1  4  0.1685  0.5000  0.1315  1.0
  Sm  Sm2  4  0.1805  0.5000  0.5516  1.0
  Te  Te3  4  0.1596  0.0000  0.8318  1.0
  Te  Te4  2  0.0000  0.5000  0.5000  1.0
  C  C5  4  0.1684  0.0000  0.3325  1.0
  S  S6  2  0.0000  0.5000  0.0000  1.0
]