data_[Sr8Ru4N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ru  2.2000  1.3000  0.6610
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.5055]
_cell_length_b [5.3424]
_cell_length_c [7.0516]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.5243]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2RuN2]
_chemical_formula_sum '[Sr8 Ru4 N8]'
_cell_volume [373.3673]
_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
[
  Sr  Sr0  4  0.0345  0.0000  0.2769  1.0
  Sr  Sr1  4  0.1822  0.5000  0.1167  1.0
  Ru  Ru2  4  0.1288  0.5000  0.6227  1.0
  N  N3  4  0.0118  0.5000  0.2920  1.0
  N  N4  4  0.1912  0.0000  0.1202  1.0
]