data_[Tb6Ce2Y12Th4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ce  1.1200  1.8500  1.0800
  Y  1.2200  1.8000  1.0400
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1833]
_cell_length_b [10.7073]
_cell_length_c [11.7647]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1080]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb3Ce(Y3Th)2]
_chemical_formula_sum '[Tb6 Ce2 Y12 Th4]'
_cell_volume [766.8082]
_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  0.1668  0.5000  1
  Tb  Tb1  2  0.0000  0.5000  0.5000  1
  Ce  Ce2  2  0.0000  0.0000  0.0000  1
  Y  Y3  8  0.2496  0.1673  0.2460  1
  Y  Y4  4  0.2477  0.5000  0.2463  1
  Th  Th5  4  0.0000  0.3334  0.0000  1
]