# generated using pymatgen
data_Ba3GaN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.07993471
_cell_length_b   8.07993866
_cell_length_c   5.79138710
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99993704
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3GaN3
_chemical_formula_sum   'Ba6 Ga2 N6'
_cell_volume   327.43825479
_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
  Ba  Ba0  1  0.93079760  0.63808824  0.25000000  1.0
  Ba  Ba1  1  0.70729063  0.06920240  0.25000000  1.0
  Ba  Ba2  1  0.36191276  0.29270937  0.25000000  1.0
  Ba  Ba3  1  0.06920240  0.36191176  0.75000000  1.0
  Ba  Ba4  1  0.29270937  0.93079760  0.75000000  1.0
  Ba  Ba5  1  0.63808724  0.70729063  0.75000000  1.0
  Ga  Ga6  1  0.66666600  0.33333300  0.75000000  1.0
  Ga  Ga7  1  0.33333400  0.66666700  0.25000000  1.0
  N  N8  1  0.89082624  0.58167250  0.75000000  1.0
  N  N9  1  0.69084626  0.10917376  0.75000000  1.0
  N  N10  1  0.41832650  0.30915374  0.75000000  1.0
  N  N11  1  0.10917376  0.41832750  0.25000000  1.0
  N  N12  1  0.30915374  0.89082724  0.25000000  1.0
  N  N13  1  0.58167250  0.69084626  0.25000000  1.0