data_[Tb6Nd2Y16]
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 [I-42m]
_cell_length_a [8.7140]
_cell_length_b [8.7140]
_cell_length_c [11.4271]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [Tb3NdY8]
_chemical_formula_sum '[Tb6 Nd2 Y16]'
_cell_volume [867.7117]
_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  4  0.0000  0.5000  0.2500  1
  Tb  Tb1  2  0.0000  0.0000  0.5000  1
  Nd  Nd2  2  0.0000  0.0000  0.0000  1
  Y  Y3  8  0.1262  0.8738  0.2535  1
  Y  Y4  8  0.2455  0.2455  0.4912  1
]