data_[Gd12Ru4O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  Ru  2.2000  1.3000  0.6610
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [8.8948]
_cell_length_b [11.0714]
_cell_length_c [5.5944]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Gd3RuO6]
_chemical_formula_sum '[Gd12 Ru4 O24]'
_cell_volume [550.9251]
_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
[
  Gd  Gd0  8  0.1941  0.3981  0.0353  1
  Gd  Gd1  4  0.0000  0.1017  0.9834  1
  Ru  Ru2  4  0.0000  0.3034  0.5539  1
  O  O3  8  0.1583  0.0173  0.2613  1
  O  O4  8  0.1614  0.2390  0.7696  1
  O  O5  4  0.0000  0.2831  0.2168  1
  O  O6  4  0.0000  0.4600  0.7574  1
]