data_[Ru6N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ru  2.2000  1.3000  0.6610
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.4280]
_cell_length_b [5.6537]
_cell_length_c [18.6857]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ru3N4]
_chemical_formula_sum '[Ru6 N8]'
_cell_volume [679.0788]
_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
[
  Ru  Ru0  4  0.0361  0.0185  0.0676  1
  Ru  Ru1  2  0.3462  0.2500  0.9679  1
  N  N2  4  0.2165  0.5044  0.9014  1
  N  N3  2  0.1849  0.7500  0.0910  1
  N  N4  2  0.5000  0.0000  0.0000  1
]