data_[Tb2Nd20Y8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [12.4314]
_cell_length_b [12.4314]
_cell_length_c [7.8481]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Tb(Nd5Y2)2]
_chemical_formula_sum '[Tb2 Nd20 Y8]'
_cell_volume [1212.8545]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0000  1
  Nd  Nd1  16  0.0993  0.1997  0.2493  1
  Nd  Nd2  4  0.0000  0.5000  0.2500  1
  Y  Y3  8  0.1003  0.7004  0.5000  1
]