# generated using pymatgen
data_BC2N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.72935873
_cell_length_b   3.72935873
_cell_length_c   3.72895638
_cell_angle_alpha   85.92959548
_cell_angle_beta   85.92959548
_cell_angle_gamma   85.74370869
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BC2N
_chemical_formula_sum   'B2 C4 N2'
_cell_volume   51.47656862
_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
  B  B0  1  0.75638600  0.49748300  0.86171700  1.0
  B  B1  1  0.50251700  0.24361400  0.13828300  1.0
  C  C2  1  0.50612300  0.75973700  0.61626300  1.0
  C  C3  1  0.00030100  0.76104400  0.14270600  1.0
  C  C4  1  0.23895600  0.99969900  0.85729400  1.0
  C  C5  1  0.24026300  0.49387700  0.38373700  1.0
  N  N6  1  0.05059100  0.29419100  0.66793500  1.0
  N  N7  1  0.70580900  0.94940900  0.33206500  1.0