data_[Tb8Dy4Sc12]
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 [C2/m]
_cell_length_a [15.9233]
_cell_length_b [5.3065]
_cell_length_c [9.7600]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.3406]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2DySc3]
_chemical_formula_sum '[Tb8 Dy4 Sc12]'
_cell_volume [688.9594]
_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  4  0.0317  0.5000  0.8454  1.0
  Tb  Tb1  4  0.1986  0.0000  0.8450  1.0
  Dy  Dy2  4  0.1347  0.0000  0.1544  1.0
  Sc  Sc3  4  0.0508  0.0000  0.4020  1.0
  Sc  Sc4  4  0.1160  0.5000  0.5978  1.0
  Sc  Sc5  4  0.2173  0.5000  0.4025  1.0
]