data_[Ni16Sn4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Sn  1.9600  1.4500  0.8300
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.4757]
_cell_length_b [4.7335]
_cell_length_c [5.2039]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7143]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ni4SnN]
_chemical_formula_sum '[Ni16 Sn4 N4]'
_cell_volume [295.8257]
_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
[
  Ni  Ni0  8  0.0996  0.3584  0.8972  1.0
  Ni  Ni1  8  0.2154  0.0716  0.2878  1.0
  Sn  Sn2  4  0.0000  0.1655  0.2500  1.0
  N  N3  4  0.2500  0.2500  0.0000  1.0
]