# generated using pymatgen
data_KPuB12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.15569913
_cell_length_b   4.15569913
_cell_length_c   8.32851580
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KPuB12
_chemical_formula_sum   'K1 Pu1 B12'
_cell_volume   143.83209545
_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
  K  K0  1  0.00000000  0.00000000  0.00000000  1.0
  Pu  Pu1  1  0.00000000  0.00000000  0.50000000  1.0
  B  B2  1  0.20148285  0.50000000  0.25419270  1.0
  B  B3  1  0.20148285  0.50000000  0.74580730  1.0
  B  B4  1  0.50000000  0.50000000  0.40174868  1.0
  B  B5  1  0.50000000  0.50000000  0.89668785  1.0
  B  B6  1  0.50000000  0.20148285  0.25419270  1.0
  B  B7  1  0.50000000  0.20148285  0.74580730  1.0
  B  B8  1  0.50000000  0.50000000  0.10331215  1.0
  B  B9  1  0.50000000  0.50000000  0.59825132  1.0
  B  B10  1  0.50000000  0.79851715  0.25419270  1.0
  B  B11  1  0.50000000  0.79851715  0.74580730  1.0
  B  B12  1  0.79851715  0.50000000  0.25419270  1.0
  B  B13  1  0.79851715  0.50000000  0.74580730  1.0