data_[Sm12Te2As4S6]
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
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.1127]
_cell_length_b [4.1372]
_cell_length_c [8.3279]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3448]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6TeAs2S3]
_chemical_formula_sum '[Sm12 Te2 As4 S6]'
_cell_volume [607.2020]
_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  0.0000  0.0000  0.7220  1.0
  Sm  Sm1  4  0.1666  0.5000  0.5843  1.0
  Sm  Sm2  4  0.1768  0.5000  0.0890  1.0
  Te  Te3  2  0.0000  0.5000  0.0000  1.0
  As  As4  4  0.1664  0.0000  0.3321  1.0
  S  S5  4  0.1633  0.0000  0.8331  1.0
  S  S6  2  0.0000  0.5000  0.5000  1.0
]