data_[In6Ga2N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [3.3856]
_cell_length_b [16.6316]
_cell_length_c [18.1078]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [In3GaN2]
_chemical_formula_sum '[In6 Ga2 N4]'
_cell_volume [1019.6005]
_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
[
  In  In0  4  0.0000  0.3293  0.5048  1
  In  In1  2  0.0000  0.0000  0.4045  1
  Ga  Ga2  2  0.0000  0.0000  0.5762  1
  N  N3  4  0.0000  0.0916  0.5049  1
]