data_[Ru7N8]
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 [P31m]
_cell_length_a [7.1154]
_cell_length_b [7.1154]
_cell_length_c [18.0121]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Ru7N8]
_chemical_formula_sum '[Ru7 N8]'
_cell_volume [789.7638]
_cell_formula_units_Z [1]
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  6  0.1998  0.7955  0.5338  1
  Ru  Ru1  1  0.0000  0.0000  0.5792  1
  N  N2  6  0.0956  0.3595  0.4229  1
  N  N3  2  0.3333  0.6667  0.5901  1
]