data_[Ru16C4N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ru  2.2000  1.3000  0.6610
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.0760]
_cell_length_b [2.7625]
_cell_length_c [14.4421]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Ru4CN4]
_chemical_formula_sum '[Ru16 C4 N16]'
_cell_volume [401.9922]
_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
[
  Ru  Ru0  4  0.0561  0.7500  0.3838  1
  Ru  Ru1  4  0.0938  0.7500  0.9413  1
  Ru  Ru2  4  0.1409  0.2500  0.1535  1
  Ru  Ru3  4  0.2054  0.2500  0.8026  1
  C  C4  4  0.1530  0.7500  0.5028  1
  N  N5  4  0.0116  0.2500  0.8450  1
  N  N6  4  0.0741  0.7500  0.5790  1
  N  N7  4  0.1522  0.2500  0.2879  1
  N  N8  4  0.2148  0.2500  0.0160  1
]