data_[Tb6Dy3Sc3S18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Dy  1.2200  1.7500  1.1310
  Sc  1.3600  1.6000  0.8850
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.8277]
_cell_length_b [6.8277]
_cell_length_c [18.2565]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Tb2DyScS6]
_chemical_formula_sum '[Tb6 Dy3 Sc3 S18]'
_cell_volume [737.0503]
_cell_formula_units_Z [3]
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
[
  Tb  Tb0  3  0.0000  0.0000  0.0174  1.0
  Tb  Tb1  3  0.0000  0.0000  0.5201  1.0
  Dy  Dy2  3  0.0000  0.0000  0.8162  1.0
  Sc  Sc3  3  0.0000  0.0000  0.3198  1.0
  S  S4  9  0.0091  0.7104  0.4134  1.0
  S  S5  9  0.0134  0.3711  0.5827  1.0
]