data_[Zr2Ru2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  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 [3.1728]
_cell_length_b [4.4728]
_cell_length_c [5.7463]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.9046]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ZrRuN]
_chemical_formula_sum '[Zr2 Ru2 N2]'
_cell_volume [81.3590]
_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
[
  Zr  Zr0  2  0.2644  0.2500  0.6607  1
  Ru  Ru1  2  0.2178  0.2500  0.1387  1
  N  N2  2  0.2631  0.7500  0.6322  1
]