# generated using pymatgen
data_CrBN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12005600
_cell_length_b   3.12013625
_cell_length_c   9.59812700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99912798
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrBN2
_chemical_formula_sum   'Cr2 B2 N4'
_cell_volume   80.92018896
_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
  Cr  Cr0  1  0.00000000  0.00000000  0.00000000  1.0
  Cr  Cr1  1  0.00000000  0.00000000  0.50000000  1.0
  B  B2  1  0.66669400  0.33338800  0.25000000  1.0
  B  B3  1  0.33330600  0.66661200  0.75000000  1.0
  N  N4  1  0.66668200  0.33336200  0.11037500  1.0
  N  N5  1  0.33331800  0.66663800  0.88962500  1.0
  N  N6  1  0.33331800  0.66663800  0.61037500  1.0
  N  N7  1  0.66668200  0.33336200  0.38962500  1.0