# generated using pymatgen
data_Ba4LiMo2N7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49648149
_cell_length_b   10.41749550
_cell_length_c   17.34341660
_cell_angle_alpha   62.88419101
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba4LiMo2N7
_chemical_formula_sum   'Ba16 Li4 Mo8 N28'
_cell_volume   1044.74109637
_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  0.85110991  0.30270110  0.62084889  1
  Ba  Ba1  1  0.85110991  0.69729890  0.87915111  1
  Ba  Ba2  1  0.14889009  0.69729890  0.37915111  1
  Ba  Ba3  1  0.14889009  0.30270110  0.12084889  1
  Ba  Ba4  1  0.28071432  0.25958875  0.48399809  1
  Ba  Ba5  1  0.28071432  0.74041125  0.01600191  1
  Ba  Ba6  1  0.71928568  0.74041125  0.51600191  1
  Ba  Ba7  1  0.71928568  0.25958875  0.98399809  1
  Ba  Ba8  1  0.77238479  0.15309035  0.42624163  1
  Ba  Ba9  1  0.77238479  0.84690965  0.07375837  1
  Ba  Ba10  1  0.22761521  0.84690965  0.57375837  1
  Ba  Ba11  1  0.22761521  0.15309035  0.92624163  1
  Ba  Ba12  1  0.97928793  0.50000000  0.25000000  1
  Ba  Ba13  1  0.02071207  0.50000000  0.75000000  1
  Ba  Ba14  1  0.68896027  -0.00000000  0.25000000  1
  Ba  Ba15  1  0.31103973  -0.00000000  0.75000000  1
  Li  Li16  1  0.53983286  0.36738156  0.76042798  1
  Li  Li17  1  0.46016714  0.36738156  0.26042798  1
  Li  Li18  1  0.46016714  0.63261844  0.23957202  1
  Li  Li19  1  0.53983286  0.63261844  0.73957202  1
  Mo  Mo20  1  0.77381636  0.95138842  0.65461182  1
  Mo  Mo21  1  0.77381636  0.04861158  0.84538818  1
  Mo  Mo22  1  0.22618364  0.04861158  0.34538818  1
  Mo  Mo23  1  0.22618364  0.95138842  0.15461182  1
  Mo  Mo24  1  0.67003228  0.51843612  0.40244172  1
  Mo  Mo25  1  0.67003228  0.48156388  0.09755828  1
  Mo  Mo26  1  0.32996772  0.48156388  0.59755828  1
  Mo  Mo27  1  0.32996772  0.51843612  0.90244172  1
  N  N28  1  0.18485430  0.75562629  0.19318288  1
  N  N29  1  0.18485430  0.24437371  0.30681712  1
  N  N30  1  0.81514570  0.24437371  0.80681712  1
  N  N31  1  0.81514570  0.75562629  0.69318288  1
  N  N32  1  0.53050963  0.43252766  0.34684822  1
  N  N33  1  0.53050963  0.56747234  0.15315178  1
  N  N34  1  0.46949037  0.56747234  0.65315178  1
  N  N35  1  0.46949037  0.43252766  0.84684822  1
  N  N36  1  0.46378506  0.01726206  0.09160989  1
  N  N37  1  0.46378506  0.98273794  0.40839011  1
  N  N38  1  0.53621494  0.98273794  0.90839011  1
  N  N39  1  0.53621494  0.01726206  0.59160989  1
  N  N40  1  0.72077660  0.29333278  0.17284452  1
  N  N41  1  0.27922340  0.29333278  0.67284452  1
  N  N42  1  0.27922340  0.70666722  0.82715548  1
  N  N43  1  0.72077660  0.70666722  0.32715548  1
  N  N44  1  0.91990987  0.57537513  0.06503127  1
  N  N45  1  0.91990987  0.42462487  0.43496873  1
  N  N46  1  0.08009013  0.42462487  0.93496873  1
  N  N47  1  0.08009013  0.57537513  0.56503127  1
  N  N48  1  0.98766836  0.05510742  0.58453285  1
  N  N49  1  0.98766836  0.94489258  0.91546715  1
  N  N50  1  0.01233164  0.94489258  0.41546715  1
  N  N51  1  0.01233164  0.05510742  0.08453285  1
  N  N52  1  0.50000000  0.50000000  0.00000000  1
  N  N53  1  0.50000000  0.50000000  0.50000000  1
  N  N54  1  0.75843413  -0.00000000  0.75000000  1
  N  N55  1  0.24156587  -0.00000000  0.25000000  1
