data_[Dy6Tm4Sc2S12]
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
  Sc  1.3600  1.6000  0.8850
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.8228]
_cell_length_b [3.8361]
_cell_length_c [7.7164]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7650]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Dy3Tm2ScS6]
_chemical_formula_sum '[Dy6 Tm4 Sc2 S12]'
_cell_volume [483.6698]
_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  0.1674  0.0000  0.8349  1.0
  Dy  Dy1  2  0.0000  0.5000  0.5000  1.0
  Tm  Tm2  4  0.1655  0.0000  0.3312  1.0
  Sc  Sc3  2  0.0000  0.5000  0.0000  1.0
  S  S4  4  0.0005  0.0000  0.2397  1.0
  S  S5  4  0.1624  0.5000  0.0852  1.0
  S  S6  4  0.1682  0.5000  0.5797  1.0
]