data_[Tb6Dy2Sc4Se12]
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 [C2/m]
_cell_length_a [6.9723]
_cell_length_b [12.0340]
_cell_length_c [6.9673]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5605]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb3Dy(ScSe3)2]
_chemical_formula_sum '[Tb6 Dy2 Sc4 Se12]'
_cell_volume [550.8513]
_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
[
  Tb  Tb0  4  0.0000  0.1615  0.5000  1.0
  Tb  Tb1  2  0.0000  0.5000  0.5000  1.0
  Dy  Dy2  2  0.0000  0.0000  0.0000  1.0
  Sc  Sc3  4  0.0000  0.3342  0.0000  1.0
  Se  Se4  8  0.2491  0.3283  0.7599  1.0
  Se  Se5  4  0.2356  0.5000  0.2353  1.0
]