data_[Ce8Zr4Ru4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Zr  1.3300  1.5500  0.8600
  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 [3.3651]
_cell_length_b [13.4579]
_cell_length_c [10.3144]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2ZrRuN5]
_chemical_formula_sum '[Ce8 Zr4 Ru4 N20]'
_cell_volume [467.1085]
_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  0.1110  0.6908  1.0
  Ce  Ce1  4  0.0000  0.1414  0.3002  1.0
  Zr  Zr2  4  0.0000  0.2085  0.0068  1.0
  Ru  Ru3  4  0.0000  0.4774  0.4627  1.0
  N  N4  4  0.0000  0.0465  0.0567  1.0
  N  N5  4  0.0000  0.2814  0.6604  1.0
  N  N6  4  0.0000  0.3211  0.3694  1.0
  N  N7  4  0.0000  0.3683  0.9991  1.0
  N  N8  4  0.0000  0.4892  0.7779  1.0
]