data_[Ce8Mg20Tl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [6.3542]
_cell_length_b [9.8480]
_cell_length_c [19.5854]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Ce2Mg5Tl4]
_chemical_formula_sum '[Ce8 Mg20 Tl16]'
_cell_volume [1225.5698]
_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  0.0000  0.0000  0.1041  1
  Mg  Mg1  8  0.2500  0.2500  0.0000  1
  Mg  Mg2  8  0.2500  0.2500  0.2500  1
  Mg  Mg3  4  0.0000  0.0000  0.5000  1
  Tl  Tl4  16  0.0000  0.1587  0.3680  1
]