data_[In6Ni18N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ni  1.9100  1.3500  0.7400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.4543]
_cell_length_b [5.4543]
_cell_length_c [13.1865]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [In3Ni9N2]
_chemical_formula_sum '[In6 Ni18 N4]'
_cell_volume [339.7354]
_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
[
  In  In0  4  0.3333  0.6667  0.4116  1
  In  In1  2  0.0000  0.0000  0.2500  1
  Ni  Ni2  12  0.1637  0.3274  0.5798  1
  Ni  Ni3  6  0.0149  0.5075  0.7500  1
  N  N4  4  0.3333  0.6667  0.6511  1
]