data_[Tb12Ho8Sc16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ho  1.2300  1.7500  1.0410
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.9851]
_cell_length_b [11.1331]
_cell_length_c [5.7755]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.2700]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tb3(HoSc2)2]
_chemical_formula_sum '[Tb12 Ho8 Sc16]'
_cell_volume [1019.5704]
_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  0.1614  0.1048  0.1076  1
  Tb  Tb1  4  0.0000  0.3855  0.2500  1
  Ho  Ho2  8  0.1252  0.3686  0.8066  1
  Sc  Sc3  8  0.0466  0.1299  0.5284  1
  Sc  Sc4  8  0.2273  0.3618  0.3454  1
]