data_[Ce10Th12Sc2]
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 [11.3930]
_cell_length_b [10.4510]
_cell_length_c [6.0370]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0361]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce5Th6Sc]
_chemical_formula_sum '[Ce10 Th12 Sc2]'
_cell_volume [707.8182]
_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  0.0000  0.1689  0.5000  1
  Ce  Ce1  4  0.0000  0.3342  0.0000  1
  Ce  Ce2  2  0.0000  0.5000  0.5000  1
  Th  Th3  8  0.2473  0.1659  0.2464  1
  Th  Th4  4  0.2465  0.0000  0.7480  1
  Sc  Sc5  2  0.0000  0.0000  0.0000  1
]