data_[Sm2Tm4Th6S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Tm  1.2500  1.7500  1.0950
  Th  1.3000  1.8000  1.0800
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.7615]
_cell_length_b [11.6483]
_cell_length_c [7.1107]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2788]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmTm2(ThS2)3]
_chemical_formula_sum '[Sm2 Tm4 Th6 S12]'
_cell_volume [531.7731]
_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  2  0.0000  0.0000  0.0000  1
  Tm  Tm1  4  0.0000  0.3330  0.0000  1
  Th  Th2  4  0.0000  0.1630  0.5000  1
  Th  Th3  2  0.0000  0.5000  0.5000  1
  S  S4  8  0.2491  0.1712  0.2338  1
  S  S5  4  0.2339  0.5000  0.2293  1
]