data_[Tb4Nd10Th6]
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 [11.5006]
_cell_length_b [5.1026]
_cell_length_c [11.4644]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1335]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2Nd5Th3]
_chemical_formula_sum '[Tb4 Nd10 Th6]'
_cell_volume [672.7659]
_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  0.0979  0.5000  0.2061  1
  Nd  Nd1  4  0.1984  0.5000  0.8962  1
  Nd  Nd2  4  0.1991  0.0000  0.4015  1
  Nd  Nd3  2  0.0000  0.0000  0.0000  1
  Th  Th4  4  0.0973  0.0000  0.6977  1
  Th  Th5  2  0.0000  0.5000  0.5000  1
]