data_[Dy3Y3Sc6Se18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Y  1.2200  1.8000  1.0400
  Sc  1.3600  1.6000  0.8850
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.0082]
_cell_length_b [7.0082]
_cell_length_c [18.8839]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [DyY(ScSe3)2]
_chemical_formula_sum '[Dy3 Y3 Sc6 Se18]'
_cell_volume [803.2295]
_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
[
  Y  Y0  3  0.0000  0.0000  0.3158  1.0
  Dy  Dy1  3  0.0000  0.0000  0.8156  1.0
  Sc  Sc2  3  0.0000  0.0000  0.0097  1.0
  Sc  Sc3  3  0.0000  0.0000  0.5097  1.0
  Se  Se4  9  0.0400  0.6940  0.0852  1.0
  Se  Se5  9  0.0405  0.3464  0.5850  1.0
]