# generated using pymatgen
data_BNCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.09970900
_cell_length_b   13.83034600
_cell_length_c   14.33271800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BNCl
_chemical_formula_sum   'B12 N12 Cl12'
_cell_volume   812.67075725
_cell_formula_units_Z   12
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  0.44650300  0.75000000  0.94005600  1.0
  B  B1  1  0.05349700  0.75000000  0.44005600  1.0
  B  B2  1  0.55349700  0.25000000  0.05994400  1.0
  B  B3  1  0.94650300  0.25000000  0.55994400  1.0
  B  B4  1  0.70017300  0.65716200  0.07955600  1.0
  B  B5  1  0.79982700  0.84283800  0.57955600  1.0
  B  B6  1  0.29982700  0.15716200  0.92044400  1.0
  B  B7  1  0.20017300  0.34283800  0.42044400  1.0
  B  B8  1  0.29982700  0.34283800  0.92044400  1.0
  B  B9  1  0.20017300  0.15716200  0.42044400  1.0
  B  B10  1  0.70017300  0.84283800  0.07955600  1.0
  B  B11  1  0.79982700  0.65716200  0.57955600  1.0
  N  N12  1  0.76930500  0.75000000  0.11644400  1.0
  N  N13  1  0.73069500  0.75000000  0.61644400  1.0
  N  N14  1  0.23069500  0.25000000  0.88355600  1.0
  N  N15  1  0.26930500  0.25000000  0.38355600  1.0
  N  N16  1  0.53700500  0.66537700  0.99082300  1.0
  N  N17  1  0.96299500  0.83462300  0.49082300  1.0
  N  N18  1  0.46299500  0.16537700  0.00917700  1.0
  N  N19  1  0.03700500  0.33462300  0.50917700  1.0
  N  N20  1  0.46299500  0.33462300  0.00917700  1.0
  N  N21  1  0.03700500  0.16537700  0.50917700  1.0
  N  N22  1  0.53700500  0.83462300  0.99082300  1.0
  N  N23  1  0.96299500  0.66537700  0.49082300  1.0
  Cl  Cl24  1  0.24332400  0.75000000  0.83238200  1.0
  Cl  Cl25  1  0.25667600  0.75000000  0.33238200  1.0
  Cl  Cl26  1  0.75667600  0.25000000  0.16761800  1.0
  Cl  Cl27  1  0.74332400  0.25000000  0.66761800  1.0
  Cl  Cl28  1  0.79911700  0.54725600  0.13312500  1.0
  Cl  Cl29  1  0.70088300  0.95274400  0.63312500  1.0
  Cl  Cl30  1  0.20088300  0.04725600  0.86687500  1.0
  Cl  Cl31  1  0.29911700  0.45274400  0.36687500  1.0
  Cl  Cl32  1  0.20088300  0.45274400  0.86687500  1.0
  Cl  Cl33  1  0.29911700  0.04725600  0.36687500  1.0
  Cl  Cl34  1  0.79911700  0.95274400  0.13312500  1.0
  Cl  Cl35  1  0.70088300  0.54725600  0.63312500  1.0