data_[Ce2Th8Sc10]
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 [17.9549]
_cell_length_b [3.4915]
_cell_length_c [9.2214]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8175]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeTh4Sc5]
_chemical_formula_sum '[Ce2 Th8 Sc10]'
_cell_volume [558.8537]
_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  2  0.0000  0.5000  0.0000  1
  Th  Th1  4  0.1017  0.0000  0.3044  1
  Th  Th2  4  0.1023  0.0000  0.7975  1
  Sc  Sc3  4  0.2026  0.5000  0.1021  1
  Sc  Sc4  4  0.2052  0.5000  0.6021  1
  Sc  Sc5  2  0.0000  0.5000  0.5000  1
]