data_[Ce16Tl2Ru4]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.4277]
_cell_length_b [13.2571]
_cell_length_c [5.3543]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9254]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce8TlRu2]
_chemical_formula_sum '[Ce16 Tl2 Ru4]'
_cell_volume [580.6407]
_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  8  0.2041  0.1083  0.0603  1.0
  Ce  Ce1  4  0.0000  0.2545  0.5000  1.0
  Ce  Ce2  4  0.0791  0.5000  0.3095  1.0
  Tl  Tl3  2  0.0000  0.0000  0.5000  1.0
  Ru  Ru4  4  0.0000  0.2872  0.0000  1.0
]