# generated using pymatgen
data_LiPu(BH4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.23872507
_cell_length_b   6.23872507
_cell_length_c   6.34321753
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiPu(BH4)4
_chemical_formula_sum   'Li1 Pu1 B4 H16'
_cell_volume   246.88874958
_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
  Li  Li0  1  0.00000000  0.00000000  0.50000000  1.0
  Pu  Pu1  1  0.50000000  0.50000000  0.50000000  1.0
  B  B2  1  0.75244917  0.75244917  0.30572040  1.0
  B  B3  1  0.24755083  0.24755083  0.30572040  1.0
  B  B4  1  0.75244917  0.24755083  0.69427960  1.0
  B  B5  1  0.24755083  0.75244917  0.69427960  1.0
  H  H6  1  0.76772420  0.76772420  0.50083345  1.0
  H  H7  1  0.23227580  0.23227580  0.50083345  1.0
  H  H8  1  0.76772420  0.23227580  0.49916655  1.0
  H  H9  1  0.23227580  0.76772420  0.49916655  1.0
  H  H10  1  0.87190946  0.87190946  0.21503035  1.0
  H  H11  1  0.12809054  0.12809054  0.21503035  1.0
  H  H12  1  0.87190946  0.12809054  0.78496965  1.0
  H  H13  1  0.12809054  0.87190946  0.78496965  1.0
  H  H14  1  0.78899425  0.56231519  0.26490477  1.0
  H  H15  1  0.21100575  0.43768481  0.26490477  1.0
  H  H16  1  0.78899425  0.43768481  0.73509523  1.0
  H  H17  1  0.21100575  0.56231519  0.73509523  1.0
  H  H18  1  0.56231519  0.21100575  0.73509523  1.0
  H  H19  1  0.43768481  0.78899425  0.73509523  1.0
  H  H20  1  0.43768481  0.21100575  0.26490477  1.0
  H  H21  1  0.56231519  0.78899425  0.26490477  1.0