data_[Ce8Sc2Tl4]
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
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.1035]
_cell_length_b [9.0763]
_cell_length_c [6.4248]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.4067]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ce4ScTl2]
_chemical_formula_sum '[Ce8 Sc2 Tl4]'
_cell_volume [391.9694]
_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  0.0387  0.2967  0.0276  1
  Ce  Ce1  2  0.2374  0.0000  0.2763  1
  Ce  Ce2  2  0.2463  0.5000  0.9898  1
  Sc  Sc3  2  0.3229  0.5000  0.5932  1
  Tl  Tl4  4  0.0580  0.2151  0.5427  1
]