data_[Tb6Dy2Sc6]
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
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [9.2597]
_cell_length_b [9.2597]
_cell_length_c [5.4312]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [176]
_chemical_formula_structural [Tb3DySc3]
_chemical_formula_sum '[Tb6 Dy2 Sc6]'
_cell_volume [403.2960]
_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  6  0.0482  0.2461  0.2500  1.0
  Dy  Dy1  2  0.3333  0.6667  0.2500  1.0
  Sc  Sc2  6  0.0957  0.4831  0.7500  1.0
]