data_[Cd4Ru2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Ru  2.2000  1.3000  0.6610
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [4.9767]
_cell_length_b [8.6203]
_cell_length_c [19.9908]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [Cd2RuN3]
_chemical_formula_sum '[Cd4 Ru2 N6]'
_cell_volume [857.6152]
_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
[
  Cd  Cd0  4  0.0000  0.1671  0.4676  1
  Ru  Ru1  2  0.0000  0.5000  0.4528  1
  N  N2  4  0.0000  0.4352  0.6206  1
  N  N3  2  0.0000  0.5000  0.3709  1
]