data_[Nb16In2N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  In  1.7800  1.5500  0.9400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.4135]
_cell_length_b [6.1250]
_cell_length_c [13.7475]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Nb8InN2]
_chemical_formula_sum '[Nb16 In2 N4]'
_cell_volume [371.6339]
_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
[
  Nb  Nb0  8  0.0000  0.2486  0.3964  1
  Nb  Nb1  4  0.0000  0.0000  0.2139  1
  Nb  Nb2  4  0.0000  0.5000  0.1288  1
  In  In3  2  0.0000  0.0000  0.0000  1
  N  N4  4  0.0000  0.5000  0.2861  1
]