data_[In4I1N1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.4509]
_cell_length_b [7.5360]
_cell_length_c [17.2765]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [In4IN]
_chemical_formula_sum '[In4 I1 N1]'
_cell_volume [839.8839]
_cell_formula_units_Z [1]
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  2  0.5773  0.2291  0.5206  1
  In  In1  1  0.0731  0.0000  0.5268  1
  In  In2  1  0.7368  0.5000  0.4070  1
  I  I3  1  0.1689  0.5000  0.4862  1
  N  N4  1  0.3986  0.0000  0.5388  1
]