data_[Tb8Ho8Sc12]
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 [I2_13]
_cell_length_a [9.3080]
_cell_length_b [9.3080]
_cell_length_c [9.3080]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [199]
_chemical_formula_structural [Tb2Ho2Sc3]
_chemical_formula_sum '[Tb8 Ho8 Sc12]'
_cell_volume [806.4346]
_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  0.1610  0.3390  0.6610  1
  Ho  Ho1  8  0.0389  0.0389  0.0389  1
  Sc  Sc2  12  0.0000  0.2500  0.2992  1
]