# generated using pymatgen
data_Ba2LiAl(CN2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.97114687
_cell_length_b   11.93493208
_cell_length_c   12.10133971
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2LiAl(CN2)4
_chemical_formula_sum   'Ba8 Li4 Al4 C16 N32'
_cell_volume   1006.83345349
_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  0.71453250  0.62122289  0.90681569  1
  Ba  Ba1  1  0.78546750  0.37877711  0.40681569  1
  Ba  Ba2  1  0.21453250  0.87877711  0.09318431  1
  Ba  Ba3  1  0.28546750  0.12122289  0.59318431  1
  Ba  Ba4  1  0.70599258  0.12207383  0.08646325  1
  Ba  Ba5  1  0.79400742  0.87792617  0.58646325  1
  Ba  Ba6  1  0.20599258  0.37792617  0.91353675  1
  Ba  Ba7  1  0.29400742  0.62207383  0.41353675  1
  Li  Li8  1  0.46732865  0.37522017  0.16990163  1
  Li  Li9  1  0.03267135  0.62477983  0.66990163  1
  Li  Li10  1  0.96732865  0.12477983  0.83009837  1
  Li  Li11  1  0.53267135  0.87522017  0.33009837  1
  Al  Al12  1  0.97299496  0.62161653  0.16756340  1
  Al  Al13  1  0.52700504  0.37838347  0.66756340  1
  Al  Al14  1  0.47299496  0.87838347  0.83243660  1
  Al  Al15  1  0.02700504  0.12161653  0.33243660  1
  C  C16  1  0.78147422  0.67163939  0.35740849  1
  C  C17  1  0.71852578  0.32836061  0.85740849  1
  C  C18  1  0.28147422  0.82836061  0.64259151  1
  C  C19  1  0.21852578  0.17163939  0.14259151  1
  C  C20  1  0.84059360  0.41814485  0.12340889  1
  C  C21  1  0.65940640  0.58185515  0.62340889  1
  C  C22  1  0.34059360  0.08185515  0.87659111  1
  C  C23  1  0.15940640  0.91814485  0.37659111  1
  C  C24  1  0.34035405  0.57680377  0.11144924  1
  C  C25  1  0.15964595  0.42319623  0.61144924  1
  C  C26  1  0.84035405  0.92319623  0.88855076  1
  C  C27  1  0.65964595  0.07680377  0.38855076  1
  C  C28  1  0.73639743  0.81839714  0.13582184  1
  C  C29  1  0.76360257  0.18160286  0.63582184  1
  C  C30  1  0.23639743  0.68160286  0.86417816  1
  C  C31  1  0.26360257  0.31839714  0.36417816  1
  N  N32  1  0.85575198  0.74586522  0.10521369  1
  N  N33  1  0.64424802  0.25413478  0.60521369  1
  N  N34  1  0.35575198  0.75413478  0.89478631  1
  N  N35  1  0.14424802  0.24586522  0.39478631  1
  N  N36  1  0.23657579  0.64261993  0.16610804  1
  N  N37  1  0.26342421  0.35738007  0.66610804  1
  N  N38  1  0.73657579  0.85738007  0.83389196  1
  N  N39  1  0.76342421  0.14261993  0.33389196  1
  N  N40  1  0.92635547  0.49818401  0.07719212  1
  N  N41  1  0.57364453  0.50181599  0.57719212  1
  N  N42  1  0.42635547  0.00181599  0.92280788  1
  N  N43  1  0.07364453  0.99818401  0.42280788  1
  N  N44  1  0.89269286  0.60132667  0.31316200  1
  N  N45  1  0.60730714  0.39867333  0.81316200  1
  N  N46  1  0.39269286  0.89867333  0.68683800  1
  N  N47  1  0.10730714  0.10132667  0.18683800  1
  N  N48  1  0.67230479  0.73725378  0.40147052  1
  N  N49  1  0.82769521  0.26274622  0.90147052  1
  N  N50  1  0.17230479  0.76274622  0.59852948  1
  N  N51  1  0.32769521  0.23725378  0.09852948  1
  N  N52  1  0.44165741  0.51262891  0.05954708  1
  N  N53  1  0.05834259  0.48737109  0.55954708  1
  N  N54  1  0.94165741  0.98737109  0.94045292  1
  N  N55  1  0.55834259  0.01262891  0.44045292  1
  N  N56  1  0.75863648  0.34149831  0.16921958  1
  N  N57  1  0.74136352  0.65850169  0.66921958  1
  N  N58  1  0.25863648  0.15850169  0.83078042  1
  N  N59  1  0.24136352  0.84149831  0.33078042  1
  N  N60  1  0.62311582  0.89138892  0.16206436  1
  N  N61  1  0.87688418  0.10861108  0.66206436  1
  N  N62  1  0.12311582  0.60861108  0.83793564  1
  N  N63  1  0.37688418  0.39138892  0.33793564  1
