data_[Ce8V4Ru4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  V  1.6300  1.3500  0.7775
  Ru  2.2000  1.3000  0.6610
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.3978]
_cell_length_b [13.5321]
_cell_length_c [9.5282]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2VRuN5]
_chemical_formula_sum '[Ce8 V4 Ru4 N20]'
_cell_volume [438.0984]
_cell_formula_units_Z [4]
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  0.1273  0.6800  1.0
  Ce  Ce1  4  0.0000  0.1341  0.3057  1.0
  V  V2  4  0.0000  0.4388  0.4578  1.0
  Ru  Ru3  4  0.0000  0.2042  0.0128  1.0
  N  N4  4  0.0000  0.0453  0.0437  1.0
  N  N5  4  0.0000  0.2971  0.6549  1.0
  N  N6  4  0.0000  0.3091  0.3734  1.0
  N  N7  4  0.0000  0.3580  0.0045  1.0
  N  N8  4  0.0000  0.4945  0.2912  1.0
]