data_[Tb40Y96Tm24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Y  1.2200  1.8000  1.0400
  Tm  1.2500  1.7500  1.0950
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [18.8121]
_cell_length_b [18.8121]
_cell_length_c [18.8121]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [230]
_chemical_formula_structural [Tb5(Y4Tm)3]
_chemical_formula_sum '[Tb40 Y96 Tm24]'
_cell_volume [6657.5084]
_cell_formula_units_Z [8]
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  24  0.0000  0.2500  0.3750  1
  Tb  Tb1  16  0.0000  0.0000  0.0000  1
  Y  Y2  96  0.0066  0.0813  0.6463  1
  Tm  Tm3  24  0.0000  0.2500  0.1250  1
]