# generated using pymatgen
data_BC2N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.56858100
_cell_length_b   2.56858100
_cell_length_c   3.67562600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BC2N
_chemical_formula_sum   'B1 C2 N1'
_cell_volume   24.25034080
_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
  B  B0  1  0.50000000  0.50000000  0.50000000  1.0
  C  C1  1  0.50000000  0.00000000  0.24798100  1.0
  C  C2  1  0.00000000  0.50000000  0.75201900  1.0
  N  N3  1  0.00000000  0.00000000  0.00000000  1.0