data_[In4Ni12N4]
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 [Cmm2]
_cell_length_a [7.0400]
_cell_length_b [7.4770]
_cell_length_c [4.7941]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [InNi3N]
_chemical_formula_sum '[In4 Ni12 N4]'
_cell_volume [252.3537]
_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
[
  In  In0  4  0.0000  0.2097  0.0787  1.0
  Ni  Ni1  4  0.1848  0.5000  0.2484  1.0
  Ni  Ni2  4  0.2500  0.2500  0.6436  1.0
  Ni  Ni3  2  0.0000  0.0000  0.5163  1.0
  Ni  Ni4  2  0.0000  0.5000  0.7624  1.0
  N  N5  4  0.2459  0.5000  0.6189  1.0
]