data_[In16N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [7.6041]
_cell_length_b [9.2432]
_cell_length_c [19.1928]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [In2N]
_chemical_formula_sum '[In16 N8]'
_cell_volume [1348.9868]
_cell_formula_units_Z [8]
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  0.2169  0.5969  1
  In  In1  4  0.1979  0.5000  0.6313  1
  In  In2  4  0.2500  0.2500  0.4142  1
  In  In3  2  0.0000  0.0000  0.4577  1
  In  In4  2  0.0000  0.5000  0.4810  1
  N  N5  4  0.0000  0.2374  0.4754  1
  N  N6  4  0.2364  0.5000  0.4129  1
]