data_[In12N8]
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 [Cm]
_cell_length_a [37.3588]
_cell_length_b [21.5691]
_cell_length_c [3.0955]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [In3N2]
_chemical_formula_sum '[In12 N8]'
_cell_volume [2494.3138]
_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  0.0561  0.3764  0.1271  1
  In  In1  4  0.4762  0.1210  0.6262  1
  In  In2  2  0.0274  0.5000  0.6274  1
  In  In3  2  0.4435  0.0000  0.1269  1
  N  N4  4  0.1574  0.4742  0.4954  1
  N  N5  4  0.3248  0.0258  0.0190  1
]