# generated using pymatgen
data_Lu4ReB12Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.59541342
_cell_length_b   9.01351328
_cell_length_c   11.37697398
_cell_angle_alpha   90.21931691
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu4ReB12Ru
_chemical_formula_sum   'Lu8 Re2 B24 Ru2'
_cell_volume   368.69438263
_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
  Lu  Lu0  1  0.00000000  0.31985402  0.41270286  1.0
  Lu  Lu1  1  0.00000000  0.68014598  0.58729714  1.0
  Lu  Lu2  1  0.00000000  0.82472451  0.08375817  1.0
  Lu  Lu3  1  0.00000000  0.17527549  0.91624183  1.0
  Lu  Lu4  1  0.00000000  0.94289443  0.37099589  1.0
  Lu  Lu5  1  0.00000000  0.05710557  0.62900411  1.0
  Lu  Lu6  1  0.00000000  0.44289297  0.12897180  1.0
  Lu  Lu7  1  0.00000000  0.55710703  0.87102820  1.0
  Re  Re8  1  0.00000000  0.13783949  0.17992289  1.0
  Re  Re9  1  0.00000000  0.86216051  0.82007711  1.0
  B  B10  1  0.50000000  0.55346010  0.43382754  1.0
  B  B11  1  0.50000000  0.44653990  0.56617246  1.0
  B  B12  1  0.50000000  0.05270020  0.06636456  1.0
  B  B13  1  0.50000000  0.94729980  0.93363544  1.0
  B  B14  1  0.50000000  0.74932690  0.41974873  1.0
  B  B15  1  0.50000000  0.25067310  0.58025127  1.0
  B  B16  1  0.50000000  0.24974755  0.08040457  1.0
  B  B17  1  0.50000000  0.75025245  0.91959543  1.0
  B  B18  1  0.50000000  0.79135482  0.26539997  1.0
  B  B19  1  0.50000000  0.20864518  0.73460003  1.0
  B  B20  1  0.50000000  0.29280698  0.23548555  1.0
  B  B21  1  0.50000000  0.70719302  0.76451445  1.0
  B  B22  1  0.50000000  0.63036921  0.18505522  1.0
  B  B23  1  0.50000000  0.36963079  0.81494478  1.0
  B  B24  1  0.50000000  0.13055195  0.31585801  1.0
  B  B25  1  0.50000000  0.86944805  0.68414199  1.0
  B  B26  1  0.50000000  0.98047954  0.21269089  1.0
  B  B27  1  0.50000000  0.01952046  0.78730911  1.0
  B  B28  1  0.50000000  0.48158860  0.28802014  1.0
  B  B29  1  0.50000000  0.51841140  0.71197986  1.0
  B  B30  1  0.50000000  0.60220127  0.02848397  1.0
  B  B31  1  0.50000000  0.39779873  0.97151603  1.0
  B  B32  1  0.50000000  0.10270642  0.47177314  1.0
  B  B33  1  0.50000000  0.89729358  0.52822686  1.0
  Ru  Ru34  1  0.00000000  0.63762967  0.32149690  1.0
  Ru  Ru35  1  0.00000000  0.36237033  0.67850310  1.0