# generated using pymatgen
data_B2CN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.57053782
_cell_length_b   2.57053782
_cell_length_c   4.44096000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999533
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2CN
_chemical_formula_sum   'B2 C1 N1'
_cell_volume   25.41297499
_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  0.00000000  0.00000000  0.17051200  1.0
  B  B1  1  0.33333300  0.66666700  0.64173700  1.0
  C  C2  1  0.33333300  0.66666700  0.00379000  1.0
  N  N3  1  0.00000000  0.00000000  0.51296100  1.0