data_[Ba8Ce2Ru6O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ce  1.1200  1.8500  1.0800
  Ru  2.2000  1.3000  0.6610
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.3383]
_cell_length_b [5.9625]
_cell_length_c [10.6579]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4752]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba4Ce(RuO4)3]
_chemical_formula_sum '[Ba8 Ce2 Ru6 O24]'
_cell_volume [611.3662]
_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
[
  Ba  Ba0  4  0.1298  0.0000  0.3906  1.0
  Ba  Ba1  4  0.2225  0.5000  0.1487  1.0
  Ce  Ce2  2  0.0000  0.0000  0.0000  1.0
  Ru  Ru3  4  0.0746  0.5000  0.7574  1.0
  Ru  Ru4  2  0.0000  0.5000  0.5000  1.0
  O  O5  8  0.0207  0.2605  0.8590  1.0
  O  O6  8  0.1174  0.2689  0.6351  1.0
  O  O7  4  0.1218  0.5000  0.3873  1.0
  O  O8  4  0.2314  0.0000  0.1084  1.0
]