# generated using pymatgen
data_LuPuB6Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.61490860
_cell_length_b   9.10778887
_cell_length_c   11.49868728
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LuPuB6Ru
_chemical_formula_sum   'Lu4 Pu4 B24 Ru4'
_cell_volume   378.58075967
_cell_formula_units_Z   4
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
  Lu  Lu0  1  0.00000000  0.94459613  0.37328467  1.0
  Lu  Lu1  1  0.00000000  0.05540387  0.62671533  1.0
  Lu  Lu2  1  0.00000000  0.44459613  0.12671533  1.0
  Lu  Lu3  1  0.00000000  0.55540387  0.87328467  1.0
  Pu  Pu4  1  0.00000000  0.32341222  0.41402668  1.0
  Pu  Pu5  1  0.00000000  0.67658778  0.58597332  1.0
  Pu  Pu6  1  0.00000000  0.82341222  0.08597332  1.0
  Pu  Pu7  1  0.00000000  0.17658778  0.91402668  1.0
  B  B8  1  0.50000000  0.55514648  0.43160812  1.0
  B  B9  1  0.50000000  0.44485352  0.56839188  1.0
  B  B10  1  0.50000000  0.05514648  0.06839188  1.0
  B  B11  1  0.50000000  0.94485352  0.93160812  1.0
  B  B12  1  0.50000000  0.75044186  0.41888039  1.0
  B  B13  1  0.50000000  0.24955814  0.58111961  1.0
  B  B14  1  0.50000000  0.25044186  0.08111961  1.0
  B  B15  1  0.50000000  0.74955814  0.91888039  1.0
  B  B16  1  0.50000000  0.79260520  0.26605213  1.0
  B  B17  1  0.50000000  0.20739480  0.73394787  1.0
  B  B18  1  0.50000000  0.29260520  0.23394787  1.0
  B  B19  1  0.50000000  0.70739480  0.76605213  1.0
  B  B20  1  0.50000000  0.63162824  0.18395942  1.0
  B  B21  1  0.50000000  0.36837176  0.81604058  1.0
  B  B22  1  0.50000000  0.13162824  0.31604058  1.0
  B  B23  1  0.50000000  0.86837176  0.68395942  1.0
  B  B24  1  0.50000000  0.98426452  0.21401812  1.0
  B  B25  1  0.50000000  0.01573548  0.78598188  1.0
  B  B26  1  0.50000000  0.48426452  0.28598188  1.0
  B  B27  1  0.50000000  0.51573548  0.71401812  1.0
  B  B28  1  0.50000000  0.60507121  0.02831631  1.0
  B  B29  1  0.50000000  0.39492879  0.97168369  1.0
  B  B30  1  0.50000000  0.10507121  0.47168369  1.0
  B  B31  1  0.50000000  0.89492879  0.52831631  1.0
  Ru  Ru32  1  0.00000000  0.64071553  0.31882926  1.0
  Ru  Ru33  1  0.00000000  0.35928447  0.68117074  1.0
  Ru  Ru34  1  0.00000000  0.14071553  0.18117074  1.0
  Ru  Ru35  1  0.00000000  0.85928447  0.81882926  1.0