# generated using pymatgen
data_Ba4Li(BN2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.87450619
_cell_length_b   6.87450619
_cell_length_c   6.87450619
_cell_angle_alpha   109.47122063
_cell_angle_beta   109.47122063
_cell_angle_gamma   109.47122063
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba4Li(BN2)3
_chemical_formula_sum   'Ba4 Li1 B3 N6'
_cell_volume   250.09363077
_cell_formula_units_Z   1
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  0.50000000  0.50000000  0.50000000  1
  Ba  Ba1  1  0.00000000  0.00000000  0.50000000  1
  Ba  Ba2  1  0.00000000  0.50000000  0.00000000  1
  Ba  Ba3  1  0.50000000  0.00000000  0.00000000  1
  Li  Li4  1  0.00000000  0.00000000  0.00000000  1
  B  B5  1  0.00000000  0.50000000  0.50000000  1
  B  B6  1  0.50000000  0.00000000  0.50000000  1
  B  B7  1  0.50000000  0.50000000  0.00000000  1
  N  N8  1  0.00000000  0.32897800  0.32897800  1
  N  N9  1  0.00000000  0.67102200  0.67102200  1
  N  N10  1  0.32897800  0.00000000  0.32897800  1
  N  N11  1  0.67102200  0.00000000  0.67102200  1
  N  N12  1  0.32897800  0.32897800  0.00000000  1
  N  N13  1  0.67102200  0.67102200  0.00000000  1
