# generated using pymatgen
data_Pu2CrB8Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51204796
_cell_length_b   5.98275148
_cell_length_c   11.62953790
_cell_angle_alpha   89.83886143
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pu2CrB8Ir
_chemical_formula_sum   'Pu4 Cr2 B16 Ir2'
_cell_volume   244.35551269
_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
  Pu  Pu0  1  0.00000000  0.62422703  0.35359033  1.0
  Pu  Pu1  1  0.00000000  0.37577297  0.64640967  1.0
  Pu  Pu2  1  0.00000000  0.12868937  0.15302778  1.0
  Pu  Pu3  1  0.00000000  0.87131063  0.84697222  1.0
  Cr  Cr4  1  0.00000000  0.13278503  0.41129112  1.0
  Cr  Cr5  1  0.00000000  0.86721497  0.58870888  1.0
  B  B6  1  0.50000000  0.78492563  0.19020222  1.0
  B  B7  1  0.50000000  0.21507437  0.80979778  1.0
  B  B8  1  0.50000000  0.28296614  0.31547196  1.0
  B  B9  1  0.50000000  0.71703386  0.68452804  1.0
  B  B10  1  0.50000000  0.86361989  0.03003506  1.0
  B  B11  1  0.50000000  0.13638011  0.96996494  1.0
  B  B12  1  0.50000000  0.36175701  0.46755865  1.0
  B  B13  1  0.50000000  0.63824299  0.53244135  1.0
  B  B14  1  0.50000000  0.88764141  0.45486792  1.0
  B  B15  1  0.50000000  0.11235859  0.54513208  1.0
  B  B16  1  0.50000000  0.38679517  0.04810675  1.0
  B  B17  1  0.50000000  0.61320483  0.95189325  1.0
  B  B18  1  0.50000000  0.97488781  0.31096291  1.0
  B  B19  1  0.50000000  0.02511219  0.68903709  1.0
  B  B20  1  0.50000000  0.47578078  0.19406583  1.0
  B  B21  1  0.50000000  0.52421922  0.80593417  1.0
  Ir  Ir22  1  0.00000000  0.64270123  0.09424372  1.0
  Ir  Ir23  1  0.00000000  0.35729877  0.90575628  1.0