data_[Tb8Nd2Th6]
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 [7.1646]
_cell_length_b [14.2766]
_cell_length_c [6.2010]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.0930]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb4NdTh3]
_chemical_formula_sum '[Tb8 Nd2 Th6]'
_cell_volume [518.9726]
_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  0.2532  0.5000  1
  Tb  Tb1  4  0.0000  0.3754  0.0000  1
  Nd  Nd2  2  0.0000  0.0000  0.5000  1
  Th  Th3  4  0.0000  0.1224  0.0000  1
  Th  Th4  2  0.0000  0.5000  0.5000  1
]