data_[Tb3Dy3Sc6Se18]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.0121]
_cell_length_b [7.0121]
_cell_length_c [18.8576]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [TbDy(ScSe3)2]
_chemical_formula_sum '[Tb3 Dy3 Sc6 Se18]'
_cell_volume [803.0037]
_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  0.6850  1
  Dy  Dy1  3  0.0000  0.0000  0.1844  1
  Sc  Sc2  3  0.0000  0.0000  0.4903  1
  Sc  Sc3  3  0.0000  0.0000  0.9900  1
  Se  Se4  9  0.0128  0.6394  0.2480  1
  Se  Se5  9  0.0130  0.3755  0.7482  1
]