data_[Ce8Bi4Ru2]
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 [I4/mmm]
_cell_length_a [5.0611]
_cell_length_b [5.0611]
_cell_length_c [17.4781]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Ce4Bi2Ru]
_chemical_formula_sum '[Ce8 Bi4 Ru2]'
_cell_volume [447.6925]
_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  4  0.0000  0.0000  0.1732  1
  Ce  Ce1  4  0.0000  0.5000  0.0000  1
  Bi  Bi2  4  0.0000  0.0000  0.3613  1
  Ru  Ru3  2  0.0000  0.0000  0.0000  1
]