data_[In12N4]
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 [Pcca]
_cell_length_a [5.9063]
_cell_length_b [15.7093]
_cell_length_c [25.3299]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [54]
_chemical_formula_structural [In3N]
_chemical_formula_sum '[In12 N4]'
_cell_volume [2350.1912]
_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  0.4774  0.7500  1
  In  In1  4  0.0000  0.5000  0.0000  1
  In  In2  4  0.2500  0.5000  0.1433  1
  N  N3  4  0.2500  0.5000  0.0598  1
]