data_[Tb12Nd2Th6]
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 [P2_1/m]
_cell_length_a [10.4059]
_cell_length_b [5.6570]
_cell_length_c [11.4847]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.8764]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tb6NdTh3]
_chemical_formula_sum '[Tb12 Nd2 Th6]'
_cell_volume [672.5142]
_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  0.1558  0.2500  0.6930  1
  Tb  Tb1  2  0.1614  0.7500  0.1879  1
  Tb  Tb2  2  0.1889  0.7500  0.4663  1
  Tb  Tb3  2  0.2171  0.7500  0.9182  1
  Tb  Tb4  2  0.3495  0.2500  0.2355  1
  Tb  Tb5  2  0.4518  0.2500  0.8989  1
  Nd  Nd6  2  0.0470  0.2500  0.3302  1
  Th  Th7  2  0.1019  0.2500  0.0187  1
  Th  Th8  2  0.3629  0.7500  0.7000  1
  Th  Th9  2  0.4602  0.2500  0.5661  1
]