data_[Ce20Tc8Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Tc  1.9000  1.3500  0.7417
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [17.1595]
_cell_length_b [6.6694]
_cell_length_c [7.1379]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Ce5(TcRu)2]
_chemical_formula_sum '[Ce20 Tc8 Ru8]'
_cell_volume [816.8790]
_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  0.0715  0.6771  0.7317  1
  Ce  Ce1  8  0.1503  0.1809  0.8407  1
  Ce  Ce2  4  0.2500  0.6258  0.9818  1
  Tc  Tc3  8  0.0734  0.0878  0.5530  1
  Ru  Ru4  4  0.0000  0.0000  0.9514  1
  Ru  Ru5  4  0.2500  0.5173  0.6518  1
]