# generated using pymatgen
data_LiB(CN)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55119500
_cell_length_b   5.55119500
_cell_length_c   5.55119500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiB(CN)4
_chemical_formula_sum   'Li1 B1 C4 N4'
_cell_volume   171.06432574
_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
  Li  Li0  1  0.50000000  0.50000000  0.50000000  1
  B  B1  1  0.00000000  0.00000000  0.00000000  1
  C  C2  1  0.83472500  0.16527500  0.16527500  1
  C  C3  1  0.16527500  0.16527500  0.83472500  1
  C  C4  1  0.16527500  0.83472500  0.16527500  1
  C  C5  1  0.83472500  0.83472500  0.83472500  1
  N  N6  1  0.71382900  0.28617100  0.28617100  1
  N  N7  1  0.28617100  0.28617100  0.71382900  1
  N  N8  1  0.28617100  0.71382900  0.28617100  1
  N  N9  1  0.71382900  0.71382900  0.71382900  1
