data_[Sm2Ru2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ru  2.2000  1.3000  0.6610
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.6247]
_cell_length_b [3.3477]
_cell_length_c [7.4425]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6931]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [SmRuN3]
_chemical_formula_sum '[Sm2 Ru2 N6]'
_cell_volume [131.9456]
_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
[
  Sm  Sm0  2  0.3189  0.0000  0.1709  1.0
  Ru  Ru1  2  0.1659  0.5000  0.7915  1.0
  N  N2  2  0.2048  0.5000  0.4009  1.0
  N  N3  2  0.2685  0.5000  0.5756  1.0
  N  N4  1  0.0000  0.5000  0.0000  1.0
  N  N5  1  0.5000  0.5000  0.0000  1.0
]