# generated using pymatgen
data_BaN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.22152961
_cell_length_b   4.22152903
_cell_length_c   7.31309529
_cell_angle_alpha   77.20459870
_cell_angle_beta   77.20458902
_cell_angle_gamma   63.66145310
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaN2
_chemical_formula_sum   'Ba2 N4'
_cell_volume   112.76116764
_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  0.79592880  0.20407120  0.25000000  1.0
  Ba  Ba1  1  0.20407120  0.79592880  0.75000000  1.0
  N  N2  1  0.15001088  0.44392642  0.45479638  1.0
  N  N3  1  0.55607358  0.84998912  0.04520362  1.0
  N  N4  1  0.44392642  0.15001088  0.95479638  1.0
  N  N5  1  0.84998912  0.55607358  0.54520362  1.0