data_[Ce16Tl12Ru8]
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/c]
_cell_length_a [15.6736]
_cell_length_b [9.0598]
_cell_length_c [6.9801]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0054]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ce4Tl3Ru2]
_chemical_formula_sum '[Ce16 Tl12 Ru8]'
_cell_volume [991.0097]
_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  0.0954  0.2096  0.6314  1.0
  Ce  Ce1  8  0.2124  0.4443  0.0317  1.0
  Tl  Tl2  8  0.0825  0.1523  0.1200  1.0
  Tl  Tl3  4  0.0000  0.4694  0.2500  1.0
  Ru  Ru4  8  0.2458  0.2065  0.3116  1.0
]