data_[Ni4Ru4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Ru  2.2000  1.3000  0.6610
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [2.6876]
_cell_length_b [3.5730]
_cell_length_c [15.8143]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [NiRuN]
_chemical_formula_sum '[Ni4 Ru4 N4]'
_cell_volume [151.8644]
_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
[
  Ni  Ni0  2  0.0000  0.5000  0.0527  1
  Ni  Ni1  2  0.0000  0.5000  0.6352  1
  Ru  Ru2  2  0.0000  0.5000  0.2143  1
  Ru  Ru3  2  0.0000  0.5000  0.8004  1
  N  N4  2  0.0000  0.0000  0.3962  1
  N  N5  2  0.0000  0.0000  0.4729  1
]