data_[Ce4Th8Sc10]
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
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.1543]
_cell_length_b [5.4736]
_cell_length_c [6.1990]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.7622]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2Th4Sc5]
_chemical_formula_sum '[Ce4 Th8 Sc10]'
_cell_volume [615.2754]
_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  0.0740  0.5000  0.5418  1
  Th  Th1  4  0.0489  0.0000  0.2629  1
  Th  Th2  4  0.1834  0.5000  0.0911  1
  Sc  Sc3  4  0.1403  0.0000  0.7901  1
  Sc  Sc4  4  0.2380  0.0000  0.3718  1
  Sc  Sc5  2  0.0000  0.5000  0.0000  1
]