data_[Ce6Nd6Th45]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Nd  1.1400  1.8500  1.2765
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [11.4421]
_cell_length_b [11.4421]
_cell_length_c [17.2152]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ce2Nd2Th15]
_chemical_formula_sum '[Ce6 Nd6 Th45]'
_cell_volume [1951.8972]
_cell_formula_units_Z [3]
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
[
  Ce  Ce0  6  0.0000  0.0000  0.0828  1
  Nd  Nd1  6  0.0000  0.0000  0.3227  1
  Th  Th2  18  0.0000  0.3005  0.0000  1
  Th  Th3  18  0.0046  0.5023  0.1527  1
  Th  Th4  9  0.0000  0.5000  0.5000  1
]