data_[Sr8Ni4N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ni  1.9100  1.3500  0.7400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.7106]
_cell_length_b [3.8539]
_cell_length_c [12.5247]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Sr2NiN2]
_chemical_formula_sum '[Sr8 Ni4 N8]'
_cell_volume [372.1839]
_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  0.1169  0.2500  0.3966  1.0
  Sr  Sr1  4  0.1267  0.2500  0.1010  1.0
  Ni  Ni2  4  0.1282  0.2500  0.7518  1.0
  N  N3  4  0.1245  0.2500  0.6107  1.0
  N  N4  4  0.1321  0.2500  0.8922  1.0
]