# generated using pymatgen
data_Pu4NiB16Pt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.02117385
_cell_length_b   7.02117208
_cell_length_c   7.02117342
_cell_angle_alpha   111.78393270
_cell_angle_beta   112.79500580
_cell_angle_gamma   103.97256911
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pu4NiB16Pt3
_chemical_formula_sum   'Pu4 Ni1 B16 Pt3'
_cell_volume   264.60514440
_cell_formula_units_Z   1
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
  Pu  Pu0  1  0.79976099  0.79990456  0.00014357  1.0
  Pu  Pu1  1  0.20023901  0.20038258  0.00014357  1.0
  Pu  Pu2  1  0.74599499  0.25055703  0.50456204  1.0
  Pu  Pu3  1  0.25400501  0.75856705  0.50456204  1.0
  Ni  Ni4  1  0.50000000  0.25911555  0.75911555  1.0
  B  B5  1  0.27201182  0.10978372  0.38179553  1.0
  B  B6  1  0.73536858  0.89318430  0.62855288  1.0
  B  B7  1  0.26463142  0.89318430  0.15781572  1.0
  B  B8  1  0.72798818  0.10978372  0.83777190  1.0
  B  B9  1  0.10825835  0.73190205  0.84016040  1.0
  B  B10  1  0.89071410  0.26489131  0.15560541  1.0
  B  B11  1  0.10928590  0.26489131  0.37417822  1.0
  B  B12  1  0.89174165  0.73190205  0.62364270  1.0
  B  B13  1  0.11720682  0.10805808  0.52866404  1.0
  B  B14  1  0.58662097  0.58572163  0.48134994  1.0
  B  B15  1  0.10437169  0.58572163  0.99909966  1.0
  B  B16  1  0.57939304  0.10805808  0.99085127  1.0
  B  B17  1  0.89562831  0.89472796  0.48134994  1.0
  B  B18  1  0.42060696  0.41145823  0.52866404  1.0
  B  B19  1  0.88279318  0.41145823  0.99085127  1.0
  B  B20  1  0.41337903  0.89472796  0.99909966  1.0
  Pt  Pt21  1  0.26676668  0.49560076  0.76236644  1.0
  Pt  Pt22  1  0.73323332  0.49560076  0.22883408  1.0
  Pt  Pt23  1  0.50000000  0.74081414  0.24081414  1.0