data_[Dy4Tm2Th6S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  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 [17.6055]
_cell_length_b [3.9031]
_cell_length_c [8.0607]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2962]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Dy2Tm(ThS2)3]
_chemical_formula_sum '[Dy4 Tm2 Th6 S12]'
_cell_volume [528.8569]
_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
[
  Dy  Dy0  4  0.1667  0.0000  0.3330  1
  Tm  Tm1  2  0.0000  0.5000  0.0000  1
  Th  Th2  4  0.1671  0.0000  0.8330  1
  Th  Th3  2  0.0000  0.5000  0.5000  1
  S  S4  4  0.0035  0.0000  0.2367  1
  S  S5  4  0.1611  0.5000  0.0909  1
  S  S6  4  0.1705  0.5000  0.5736  1
]