data_[Ce2Sc13]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.0844]
_cell_length_b [8.0556]
_cell_length_c [8.3001]
_cell_angle_alpha [68.8653]
_cell_angle_beta [83.3441]
_cell_angle_gamma [80.7265]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ce2Sc13]
_chemical_formula_sum '[Ce2 Sc13]'
_cell_volume [373.7530]
_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  2  0.1917  0.8121  0.3893  1.0
  Sc  Sc1  2  0.0949  0.4271  0.6945  1.0
  Sc  Sc2  2  0.1472  0.1989  0.2602  1.0
  Sc  Sc3  2  0.2390  0.5835  0.9734  1.0
  Sc  Sc4  2  0.3361  0.9926  0.6683  1.0
  Sc  Sc5  2  0.4295  0.4165  0.3643  1.0
  Sc  Sc6  2  0.4540  0.1964  0.9294  1.0
  Sc  Sc7  1  0.0000  0.0000  0.0000  1.0
]