# generated using pymatgen
data_Sr2PuB18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.16038080
_cell_length_b   4.16038080
_cell_length_c   12.49591222
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2PuB18
_chemical_formula_sum   'Sr2 Pu1 B18'
_cell_volume   216.28885018
_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
  Sr  Sr0  1  0.00000000  0.00000000  0.33369594  1.0
  Sr  Sr1  1  0.00000000  0.00000000  0.66630406  1.0
  Pu  Pu2  1  0.00000000  0.00000000  0.00000000  1.0
  B  B3  1  0.20110338  0.50000000  0.16457160  1.0
  B  B4  1  0.20265467  0.50000000  0.50000000  1.0
  B  B5  1  0.20110338  0.50000000  0.83542840  1.0
  B  B6  1  0.50000000  0.50000000  0.26442895  1.0
  B  B7  1  0.50000000  0.50000000  0.59954714  1.0
  B  B8  1  0.50000000  0.50000000  0.93416612  1.0
  B  B9  1  0.50000000  0.20110338  0.16457160  1.0
  B  B10  1  0.50000000  0.20265467  0.50000000  1.0
  B  B11  1  0.50000000  0.20110338  0.83542840  1.0
  B  B12  1  0.50000000  0.50000000  0.06583388  1.0
  B  B13  1  0.50000000  0.50000000  0.40045286  1.0
  B  B14  1  0.50000000  0.50000000  0.73557105  1.0
  B  B15  1  0.50000000  0.79889662  0.16457160  1.0
  B  B16  1  0.50000000  0.79734533  0.50000000  1.0
  B  B17  1  0.50000000  0.79889662  0.83542840  1.0
  B  B18  1  0.79889662  0.50000000  0.16457160  1.0
  B  B19  1  0.79734533  0.50000000  0.50000000  1.0
  B  B20  1  0.79889662  0.50000000  0.83542840  1.0