data_[Ce6Sm1Th8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sm  1.1700  1.8500  1.2290
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [9.3586]
_cell_length_b [9.3586]
_cell_length_c [6.4317]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Ce6SmTh8]
_chemical_formula_sum '[Ce6 Sm1 Th8]'
_cell_volume [487.8478]
_cell_formula_units_Z [1]
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  0.0657  0.6454  0.3744  1
  Sm  Sm1  1  0.0000  0.0000  0.5000  1
  Th  Th2  6  0.0064  0.7091  0.8648  1
  Th  Th3  2  0.3333  0.6667  0.8973  1
]