# generated using pymatgen
data_NpBN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26738439
_cell_length_b   6.26738356
_cell_length_c   3.33634396
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   146.03322021
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NpBN
_chemical_formula_sum   'Np2 B2 N2'
_cell_volume   73.22030355
_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
  Np  Np0  1  0.85888319  0.14111681  0.75000000  1.0
  Np  Np1  1  0.14111681  0.85888319  0.25000000  1.0
  B  B2  1  0.53500427  0.46499573  0.75000000  1.0
  B  B3  1  0.46499573  0.53500427  0.25000000  1.0
  N  N4  1  0.66098453  0.33901547  0.75000000  1.0
  N  N5  1  0.33901547  0.66098453  0.25000000  1.0