# generated using pymatgen
data_BaN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.46240403
_cell_length_b   6.77646249
_cell_length_c   7.56712859
_cell_angle_alpha   108.34037265
_cell_angle_beta   111.85254317
_cell_angle_gamma   105.65986639
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaN2
_chemical_formula_sum   'Ba4 N8'
_cell_volume   302.84620232
_cell_formula_units_Z   4
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  0.16547200  0.71841900  0.32900400  1.0
  Ba  Ba1  1  0.33646800  0.38941400  0.67099600  1.0
  Ba  Ba2  1  0.54491000  0.34930800  0.22712700  1.0
  Ba  Ba3  1  0.81778300  0.12218100  0.77287300  1.0
  N  N4  1  0.74150200  0.47447600  0.99374300  1.0
  N  N5  1  0.24775900  0.48073200  0.00625700  1.0
  N  N6  1  0.53492300  0.67334300  0.54558100  1.0
  N  N7  1  0.48934200  0.12776300  0.45441900  1.0
  N  N8  1  0.14048500  0.25826800  0.22324800  1.0
  N  N9  1  0.41723700  0.03502000  0.77675200  1.0
  N  N10  1  0.95013600  0.43701500  0.53025400  1.0
  N  N11  1  0.91988200  0.90676100  0.46974600  1.0