data_[Tb12Nd8Y16]
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 [C2/c]
_cell_length_a [16.4622]
_cell_length_b [11.7150]
_cell_length_c [6.1756]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.4400]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tb3(NdY2)2]
_chemical_formula_sum '[Tb12 Nd8 Y16]'
_cell_volume [1183.4852]
_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  0.1651  0.0985  0.0938  1.0
  Tb  Tb1  4  0.0000  0.4039  0.2500  1.0
  Nd  Nd2  8  0.1220  0.3557  0.8238  1.0
  Y  Y3  8  0.0469  0.1408  0.5156  1.0
  Y  Y4  8  0.2152  0.3632  0.3495  1.0
]