# generated using pymatgen
data_LiBC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.49666100
_cell_length_b   4.49670904
_cell_length_c   2.98610400
_cell_angle_alpha   90.00000315
_cell_angle_beta   90.00001919
_cell_angle_gamma   119.99675754
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBC
_chemical_formula_sum   'Li2 B2 C2'
_cell_volume   52.29193170
_cell_formula_units_Z   2
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  0.99999900  0.00000000  0.00000000  1
  Li  Li1  1  0.00000100  0.00000000  0.50000000  1
  B  B2  1  0.33333200  0.66666900  0.74999800  1
  B  B3  1  0.66666600  0.33333200  0.25000200  1
  C  C4  1  0.33332900  0.66667600  0.25000200  1
  C  C5  1  0.66667400  0.33332300  0.74999800  1
