data_[Ru3N3]
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 [P3m1]
_cell_length_a [3.1654]
_cell_length_b [3.1654]
_cell_length_c [21.3380]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [RuN]
_chemical_formula_sum '[Ru3 N3]'
_cell_volume [185.1538]
_cell_formula_units_Z [3]
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  1  0.0000  0.0000  0.5056  1
  Ru  Ru1  1  0.0000  0.0000  0.6239  1
  Ru  Ru2  1  0.6667  0.3333  0.3843  1
  N  N3  1  0.3333  0.6667  0.3554  1
  N  N4  1  0.3333  0.6667  0.6524  1
  N  N5  1  0.6667  0.3333  0.4784  1
]