data_[Ce12Bi2Ru6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Bi  2.0200  1.6000  1.0350
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.2644]
_cell_length_b [4.1162]
_cell_length_c [12.1039]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7950]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ce6BiRu3]
_chemical_formula_sum '[Ce12 Bi2 Ru6]'
_cell_volume [542.6064]
_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  2  0.0832  0.2500  0.9054  1.0
  Ce  Ce1  2  0.1699  0.7500  0.4595  1.0
  Ce  Ce2  2  0.2210  0.2500  0.2201  1.0
  Ce  Ce3  2  0.2968  0.2500  0.7397  1.0
  Ce  Ce4  2  0.3866  0.7500  0.0425  1.0
  Ce  Ce5  2  0.4955  0.2500  0.3769  1.0
  Bi  Bi6  2  0.0477  0.7500  0.6812  1.0
  Ru  Ru7  2  0.1564  0.7500  0.0756  1.0
  Ru  Ru8  2  0.3382  0.2500  0.5184  1.0
  Ru  Ru9  2  0.4770  0.7500  0.8372  1.0
]