# generated using pymatgen
data_Ba2LiN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.26862700
_cell_length_b   8.26862700
_cell_length_c   15.50168600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2LiN
_chemical_formula_sum   'Ba16 Li8 N8'
_cell_volume   1059.85325535
_cell_formula_units_Z   8
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  0.00000000  0.77257100  0.41006500  1
  Ba  Ba1  1  0.00000000  0.22742900  0.41006500  1
  Ba  Ba2  1  0.78041100  0.50000000  0.60540000  1
  Ba  Ba3  1  0.77257100  0.00000000  0.58993500  1
  Ba  Ba4  1  0.50000000  0.72742900  0.08993500  1
  Ba  Ba5  1  0.27257100  0.50000000  0.91006500  1
  Ba  Ba6  1  0.00000000  0.71958900  0.10540000  1
  Ba  Ba7  1  0.50000000  0.27257100  0.08993500  1
  Ba  Ba8  1  0.28041100  0.00000000  0.89460000  1
  Ba  Ba9  1  0.21958900  0.50000000  0.60540000  1
  Ba  Ba10  1  0.00000000  0.28041100  0.10540000  1
  Ba  Ba11  1  0.50000000  0.21958900  0.39460000  1
  Ba  Ba12  1  0.22742900  0.00000000  0.58993500  1
  Ba  Ba13  1  0.71958900  0.00000000  0.89460000  1
  Ba  Ba14  1  0.72742900  0.50000000  0.91006500  1
  Ba  Ba15  1  0.50000000  0.78041100  0.39460000  1
  Li  Li16  1  0.74356500  0.50000000  0.21884600  1
  Li  Li17  1  0.50000000  0.25643500  0.78115400  1
  Li  Li18  1  0.00000000  0.24356500  0.71884600  1
  Li  Li19  1  0.50000000  0.74356500  0.78115400  1
  Li  Li20  1  0.75643500  0.00000000  0.28115400  1
  Li  Li21  1  0.24356500  0.00000000  0.28115400  1
  Li  Li22  1  0.00000000  0.75643500  0.71884600  1
  Li  Li23  1  0.25643500  0.50000000  0.21884600  1
  N  N24  1  0.25675500  0.00000000  0.41124300  1
  N  N25  1  0.00000000  0.25675500  0.58875700  1
  N  N26  1  0.74324500  0.00000000  0.41124300  1
  N  N27  1  0.50000000  0.24324500  0.91124300  1
  N  N28  1  0.24324500  0.50000000  0.08875700  1
  N  N29  1  0.50000000  0.75675500  0.91124300  1
  N  N30  1  0.00000000  0.74324500  0.58875700  1
  N  N31  1  0.75675500  0.50000000  0.08875700  1
