data_[Sr16Ru6N16]
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 [19.0702]
_cell_length_b [5.3601]
_cell_length_c [7.6214]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6943]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr8Ru3N8]
_chemical_formula_sum '[Sr16 Ru6 N16]'
_cell_volume [749.9941]
_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
[
  Sr  Sr0  4  0.0251  0.0000  0.2572  1
  Sr  Sr1  4  0.1004  0.5000  0.9569  1
  Sr  Sr2  4  0.1666  0.5000  0.4698  1
  Sr  Sr3  4  0.2002  0.0000  0.8021  1
  Ru  Ru4  4  0.1860  0.0000  0.2057  1
  Ru  Ru5  2  0.0000  0.5000  0.5000  1
  N  N6  4  0.0253  0.5000  0.2838  1
  N  N7  4  0.1005  0.0000  0.0025  1
  N  N8  4  0.1758  0.0000  0.4412  1
  N  N9  4  0.2203  0.5000  0.8310  1
]