data_[Ni6Sb2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Sb  2.0500  1.4500  0.8300
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [5.3065]
_cell_length_b [5.3652]
_cell_length_c [18.7405]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [Ni3SbN3]
_chemical_formula_sum '[Ni6 Sb2 N6]'
_cell_volume [533.5512]
_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
[
  Ni  Ni0  4  0.2500  0.2500  0.5099  1
  Ni  Ni1  2  0.0000  0.0000  0.5953  1
  Sb  Sb2  2  0.0000  0.5000  0.6142  1
  N  N3  4  0.0000  0.2785  0.4280  1
  N  N4  2  0.0000  0.5000  0.4146  1
]