data_[Ce12Tl6Ru2]
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 [10.1974]
_cell_length_b [6.8339]
_cell_length_c [8.3809]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9439]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce6Tl3Ru]
_chemical_formula_sum '[Ce12 Tl6 Ru2]'
_cell_volume [564.2994]
_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  0.1200  0.2075  0.3722  1
  Ce  Ce1  4  0.1458  0.5000  0.8655  1
  Tl  Tl2  4  0.1844  0.0000  0.7520  1
  Tl  Tl3  2  0.0000  0.0000  0.0000  1
  Ru  Ru4  2  0.0000  0.5000  0.5000  1
]