data_[Sr16Fe6N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Fe  1.8300  1.4000  0.8525
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.8459]
_cell_length_b [5.3580]
_cell_length_c [7.4911]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9223]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr8Fe3N8]
_chemical_formula_sum '[Sr16 Fe6 N16]'
_cell_volume [727.4008]
_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  0.0308  0.0000  0.2639  1.0
  Sr  Sr1  4  0.0950  0.5000  0.9638  1.0
  Sr  Sr2  4  0.1672  0.5000  0.4680  1.0
  Sr  Sr3  4  0.1997  0.0000  0.8070  1.0
  Fe  Fe4  4  0.1884  0.0000  0.2068  1.0
  Fe  Fe5  2  0.0000  0.5000  0.5000  1.0
  N  N6  4  0.0265  0.5000  0.2806  1.0
  N  N7  4  0.1087  0.0000  0.0167  1.0
  N  N8  4  0.1785  0.0000  0.4306  1.0
  N  N9  4  0.2235  0.5000  0.8288  1.0
]