# generated using pymatgen
data_GaN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18893040
_cell_length_b   3.18893040
_cell_length_c   5.19235725
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaN
_chemical_formula_sum   'Ga2 N2'
_cell_volume   45.72832351
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_type_symbol
 _atom_type_oxidation_number
  Ga3+  3.0
  N3-  -3.0
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
  Ga3+  Ga0  1  0.66666667  0.33333333  0.49908371  1
  Ga3+  Ga1  1  0.33333333  0.66666667  0.99908371  1
  N3-  N2  1  0.66666667  0.33333333  0.87591629  1
  N3-  N3  1  0.33333333  0.66666667  0.37591629  1