data_[Ce2Cd4Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Cd  1.6900  1.5500  1.0900
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.2791]
_cell_length_b [6.6848]
_cell_length_c [5.3349]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2140]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CeCd2Ru]
_chemical_formula_sum '[Ce2 Cd4 Ru2]'
_cell_volume [177.7809]
_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  0.4669  0.2500  0.8733  1.0
  Cd  Cd1  4  0.0993  0.0347  0.2836  1.0
  Ru  Ru2  2  0.4071  0.7500  0.6786  1.0
]