# generated using pymatgen
data_NpB4Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.53401337
_cell_length_b   6.03969726
_cell_length_c   11.72176756
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NpB4Ir
_chemical_formula_sum   'Np4 B16 Ir4'
_cell_volume   250.19375403
_cell_formula_units_Z   4
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  0.62934260  0.35054804  1.0
  Np  Np1  1  0.00000000  0.37065740  0.64945196  1.0
  Np  Np2  1  0.00000000  0.12934260  0.14945196  1.0
  Np  Np3  1  0.00000000  0.87065740  0.85054804  1.0
  B  B4  1  0.50000000  0.78855473  0.18787150  1.0
  B  B5  1  0.50000000  0.21144527  0.81212850  1.0
  B  B6  1  0.50000000  0.28855473  0.31212850  1.0
  B  B7  1  0.50000000  0.71144527  0.68787150  1.0
  B  B8  1  0.50000000  0.86455747  0.03206403  1.0
  B  B9  1  0.50000000  0.13544253  0.96793597  1.0
  B  B10  1  0.50000000  0.36455747  0.46793597  1.0
  B  B11  1  0.50000000  0.63544253  0.53206403  1.0
  B  B12  1  0.50000000  0.88567917  0.45381387  1.0
  B  B13  1  0.50000000  0.11432083  0.54618613  1.0
  B  B14  1  0.50000000  0.38567917  0.04618613  1.0
  B  B15  1  0.50000000  0.61432083  0.95381387  1.0
  B  B16  1  0.50000000  0.97227534  0.30890593  1.0
  B  B17  1  0.50000000  0.02772466  0.69109407  1.0
  B  B18  1  0.50000000  0.47227534  0.19109407  1.0
  B  B19  1  0.50000000  0.52772466  0.80890593  1.0
  Ir  Ir20  1  0.00000000  0.64119863  0.09464462  1.0
  Ir  Ir21  1  0.00000000  0.35880137  0.90535538  1.0
  Ir  Ir22  1  0.00000000  0.14119863  0.40535538  1.0
  Ir  Ir23  1  0.00000000  0.85880137  0.59464462  1.0