data_[Ce12Cu6H36Ru6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Cu  1.9000  1.3500  0.8200
  H  2.2000  0.2500  0.0000
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.1007]
_cell_length_b [5.1007]
_cell_length_c [28.2853]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ce2CuH6Ru]
_chemical_formula_sum '[Ce12 Cu6 H36 Ru6]'
_cell_volume [637.3227]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.1236  1
  Ce  Ce1  6  0.0000  0.0000  0.2931  1
  Cu  Cu2  6  0.0000  0.0000  0.4087  1
  H  H3  18  0.0044  0.5022  0.8684  1
  H  H4  18  0.0110  0.5055  0.7070  1
  Ru  Ru5  3  -0.0000  -0.0000  0.5000  1
  Ru  Ru6  3  0.0000  0.0000  0.0000  1
]