data_[Ce16Tl4Ge4]
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 [C2/c]
_cell_length_a [9.0286]
_cell_length_b [12.7755]
_cell_length_c [5.7278]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.9435]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ce4TlGe]
_chemical_formula_sum '[Ce16 Tl4 Ge4]'
_cell_volume [617.0227]
_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  0.1222  0.1927  0.1642  1.0
  Ce  Ce1  8  0.2163  0.3951  0.3694  1.0
  Tl  Tl2  4  0.0000  0.3845  0.7500  1.0
  Ge  Ge3  4  0.0000  0.0207  0.7500  1.0
]