data_[Sr2Fe10N8]
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 [Pmmn]
_cell_length_a [5.8497]
_cell_length_b [9.4214]
_cell_length_c [4.4019]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [SrFe5N4]
_chemical_formula_sum '[Sr2 Fe10 N8]'
_cell_volume [242.6003]
_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  2  0.0000  0.5000  0.2734  1
  Fe  Fe1  8  0.2447  0.1882  0.2692  1
  Fe  Fe2  2  0.0000  0.0000  0.9726  1
  N  N3  4  0.0000  0.2473  0.5136  1
  N  N4  4  0.2421  0.0000  0.2101  1
]