# generated using pymatgen
data_NpNiBN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.50397681
_cell_length_b   3.50397681
_cell_length_c   7.50563313
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NpNiBN
_chemical_formula_sum   'Np2 Ni2 B2 N2'
_cell_volume   92.15306401
_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  0.00000000  0.50000000  0.32547191  1.0
  Np  Np1  1  0.50000000  0.00000000  0.67452809  1.0
  Ni  Ni2  1  0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni3  1  0.50000000  0.50000000  0.00000000  1.0
  B  B4  1  0.00000000  0.50000000  0.84098372  1.0
  B  B5  1  0.50000000  0.00000000  0.15901628  1.0
  N  N6  1  0.00000000  0.50000000  0.64078382  1.0
  N  N7  1  0.50000000  0.00000000  0.35921618  1.0