data_[In3Ga1N4]
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 [3.4929]
_cell_length_b [3.4929]
_cell_length_c [11.3549]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [In3GaN4]
_chemical_formula_sum '[In3 Ga1 N4]'
_cell_volume [119.9720]
_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  0.2504  1.0
  In  In1  1  0.3333  0.6667  0.5095  1.0
  In  In2  1  0.3333  0.6667  0.9916  1.0
  Ga  Ga3  1  0.0000  0.0000  0.7533  1.0
  N  N4  1  0.0000  0.0000  0.4419  1.0
  N  N5  1  0.0000  0.0000  0.9253  1.0
  N  N6  1  0.3333  0.6667  0.1837  1.0
  N  N7  1  0.3333  0.6667  0.7036  1.0
]