data_[Ru6N10]
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]
_cell_length_a [5.3315]
_cell_length_b [21.5124]
_cell_length_c [5.3493]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.2092]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [3]
_chemical_formula_structural [Ru3N5]
_chemical_formula_sum '[Ru6 N10]'
_cell_volume [550.4592]
_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  2  0.1586  0.3355  0.3967  1
  Ru  Ru1  1  0.0000  0.4163  0.0000  1
  Ru  Ru2  1  0.0000  0.4477  0.5000  1
  Ru  Ru3  1  0.5000  0.4228  0.5000  1
  Ru  Ru4  1  0.5000  0.4420  0.0000  1
  N  N5  2  0.1420  0.5963  0.5761  1
  N  N6  2  0.2954  0.6303  0.4914  1
  N  N7  2  0.3685  0.5810  0.0007  1
  N  N8  1  0.0000  0.3276  0.0000  1
  N  N9  1  0.0000  0.5344  0.5000  1
  N  N10  1  0.5000  0.5265  0.0000  1
  N  N11  1  0.5000  0.5963  0.5000  1
]