data_[Tl2Cd2Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.4819]
_cell_length_b [2.9526]
_cell_length_c [4.9414]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.0175]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TlCdRu2]
_chemical_formula_sum '[Tl2 Cd2 Ru4]'
_cell_volume [142.7553]
_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
[
  Tl  Tl0  2  0.0173  0.5000  0.5671  1
  Cd  Cd1  2  0.2320  0.5000  0.1817  1
  Ru  Ru2  2  0.2755  0.0000  0.7050  1
  Ru  Ru3  2  0.4751  0.5000  0.0462  1
]