data_[Ce12Tl4Sb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Tl  1.6200  1.9000  1.3325
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.9892]
_cell_length_b [13.4754]
_cell_length_c [7.6600]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2369]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ce3TlSb2]
_chemical_formula_sum '[Ce12 Tl4 Sb8]'
_cell_volume [778.6138]
_cell_formula_units_Z [4]
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  8  0.2383  0.0869  0.4984  1
  Ce  Ce1  4  0.2500  0.2500  0.0000  1
  Tl  Tl2  4  0.0000  0.4217  0.7500  1
  Sb  Sb3  4  0.0000  0.0842  0.7500  1
  Sb  Sb4  4  0.0000  0.2535  0.2500  1
]