data_[Ce6Th26]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [10.0598]
_cell_length_b [9.9576]
_cell_length_c [9.9685]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Ce3Th13]
_chemical_formula_sum '[Ce6 Th26]'
_cell_volume [998.5586]
_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
[
  Ce  Ce0  4  0.2492  0.0000  0.0001  1
  Ce  Ce1  2  0.0000  0.0000  0.7495  1
  Th  Th2  8  0.2489  0.2495  0.7500  1
  Th  Th3  4  0.0000  0.2491  0.9997  1
  Th  Th4  4  0.2491  0.0000  0.4999  1
  Th  Th5  4  0.5000  0.2495  0.0003  1
  Th  Th6  2  0.0000  0.0000  0.2498  1
  Th  Th7  2  0.5000  0.0000  0.2502  1
  Th  Th8  2  0.5000  0.0000  0.7505  1
]