data_[Tb8Nd12Y16]
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 [16.7410]
_cell_length_b [11.7843]
_cell_length_c [6.1142]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.5663]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tb2Nd3Y4]
_chemical_formula_sum '[Tb8 Nd12 Y16]'
_cell_volume [1195.7167]
_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  0.1161  0.3649  0.8163  1.0
  Nd  Nd1  8  0.1666  0.1081  0.0825  1.0
  Nd  Nd2  4  0.0000  0.3963  0.2500  1.0
  Y  Y3  8  0.0501  0.1333  0.5194  1.0
  Y  Y4  8  0.2161  0.3702  0.3555  1.0
]