data_[Tb2Nd16Th4]
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
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.1355]
_cell_length_b [16.5981]
_cell_length_c [6.0767]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.4884]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb(Nd4Th)2]
_chemical_formula_sum '[Tb2 Nd16 Th4]'
_cell_volume [768.4647]
_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  0.5000  1
  Nd  Nd1  8  0.2174  0.1173  0.1784  1
  Nd  Nd2  4  0.0000  0.2066  0.5000  1
  Nd  Nd3  4  0.0800  0.5000  0.2936  1
  Th  Th4  4  0.0000  0.3074  0.0000  1
]