data_[Tb12Dy16Sc4]
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 [I4/mcm]
_cell_length_a [8.7069]
_cell_length_b [8.7069]
_cell_length_c [12.8695]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Tb3Dy4Sc]
_chemical_formula_sum '[Tb12 Dy16 Sc4]'
_cell_volume [975.6420]
_cell_formula_units_Z [4]
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  8  0.1471  0.3529  0.0000  1
  Tb  Tb1  4  0.0000  0.0000  0.2500  1
  Dy  Dy2  16  0.1510  0.3490  0.3378  1
  Sc  Sc3  4  0.0000  0.0000  0.0000  1
]