data_[In1Ga3N4]
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 [P3m1]
_cell_length_a [3.3025]
_cell_length_b [3.3025]
_cell_length_c [10.8280]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [InGa3N4]
_chemical_formula_sum '[In1 Ga3 N4]'
_cell_volume [102.2737]
_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  1  0.0000  0.0000  0.0017  1.0
  Ga  Ga1  1  0.0000  0.0000  0.5016  1.0
  Ga  Ga2  1  0.6667  0.3333  0.2621  1.0
  Ga  Ga3  1  0.6667  0.3333  0.7408  1.0
  N  N4  1  0.0000  0.0000  0.2047  1.0
  N  N5  1  0.0000  0.0000  0.6833  1.0
  N  N6  1  0.6667  0.3333  0.4439  1.0
  N  N7  1  0.6667  0.3333  0.9202  1.0
]