# generated using pymatgen
data_Li(BC)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.71464429
_cell_length_b   2.71464429
_cell_length_c   7.11805300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000704
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li(BC)2
_chemical_formula_sum   'Li1 B2 C2'
_cell_volume   45.42737884
_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  0.00000000  0.00000000  0.50000000  1
  B  B1  1  0.33333300  0.66666700  0.74981300  1
  B  B2  1  0.66666700  0.33333300  0.25018700  1
  C  C3  1  0.33333300  0.66666700  0.25821900  1
  C  C4  1  0.66666700  0.33333300  0.74178100  1
