data_[Ce6Fe1Bi2Ru1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Fe  1.8300  1.4000  0.8525
  Bi  2.0200  1.6000  1.0350
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.2964]
_cell_length_b [5.2964]
_cell_length_c [10.2664]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Ce6FeBi2Ru]
_chemical_formula_sum '[Ce6 Fe1 Bi2 Ru1]'
_cell_volume [287.9930]
_cell_formula_units_Z [1]
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  0.0000  0.5000  0.0000  1.0
  Ce  Ce1  2  0.0000  0.5000  0.5000  1.0
  Ce  Ce2  2  0.5000  0.5000  0.2638  1.0
  Fe  Fe3  1  0.5000  0.5000  0.5000  1.0
  Bi  Bi4  2  0.0000  0.0000  0.2525  1.0
  Ru  Ru5  1  0.5000  0.5000  0.0000  1.0
]