data_[Ce20Tl4Ge8]
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
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.2357]
_cell_length_b [9.5899]
_cell_length_c [17.0899]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ce5TlGe2]
_chemical_formula_sum '[Ce20 Tl4 Ge8]'
_cell_volume [858.0809]
_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  0.0895  0.0982  1
  Ce  Ce1  8  0.0000  0.4348  0.0683  1
  Ce  Ce2  4  0.0000  0.2368  0.7500  1
  Tl  Tl3  4  0.0000  0.4396  0.2500  1
  Ge  Ge4  8  0.0000  0.2341  0.5735  1
]