# generated using pymatgen
data_Lu4TaB12Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.57329461
_cell_length_b   9.12962952
_cell_length_c   11.52909735
_cell_angle_alpha   90.38445106
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu4TaB12Ir
_chemical_formula_sum   'Lu8 Ta2 B24 Ir2'
_cell_volume   376.10361542
_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  0.31658121  0.41250187  1.0
  Lu  Lu1  1  0.00000000  0.68341879  0.58749813  1.0
  Lu  Lu2  1  0.00000000  0.82184205  0.08407199  1.0
  Lu  Lu3  1  0.00000000  0.17815795  0.91592801  1.0
  Lu  Lu4  1  0.00000000  0.94418307  0.37451009  1.0
  Lu  Lu5  1  0.00000000  0.05581693  0.62548991  1.0
  Lu  Lu6  1  0.00000000  0.44516413  0.12609624  1.0
  Lu  Lu7  1  0.00000000  0.55483587  0.87390376  1.0
  Ta  Ta8  1  0.00000000  0.13976516  0.18205520  1.0
  Ta  Ta9  1  0.00000000  0.86023484  0.81794480  1.0
  B  B10  1  0.50000000  0.55388217  0.43464274  1.0
  B  B11  1  0.50000000  0.44611783  0.56535726  1.0
  B  B12  1  0.50000000  0.05014762  0.06479186  1.0
  B  B13  1  0.50000000  0.94985238  0.93520814  1.0
  B  B14  1  0.50000000  0.75026547  0.42118469  1.0
  B  B15  1  0.50000000  0.24973453  0.57881531  1.0
  B  B16  1  0.50000000  0.25236585  0.07680139  1.0
  B  B17  1  0.50000000  0.74763415  0.92319861  1.0
  B  B18  1  0.50000000  0.79092296  0.26602646  1.0
  B  B19  1  0.50000000  0.20907704  0.73397354  1.0
  B  B20  1  0.50000000  0.29947681  0.23836725  1.0
  B  B21  1  0.50000000  0.70052319  0.76163275  1.0
  B  B22  1  0.50000000  0.63066676  0.18505555  1.0
  B  B23  1  0.50000000  0.36933324  0.81494445  1.0
  B  B24  1  0.50000000  0.13244375  0.32075781  1.0
  B  B25  1  0.50000000  0.86755625  0.67924219  1.0
  B  B26  1  0.50000000  0.97385546  0.21453774  1.0
  B  B27  1  0.50000000  0.02614454  0.78546226  1.0
  B  B28  1  0.50000000  0.48205519  0.28846870  1.0
  B  B29  1  0.50000000  0.51794481  0.71153130  1.0
  B  B30  1  0.50000000  0.60435563  0.03059283  1.0
  B  B31  1  0.50000000  0.39564437  0.96940717  1.0
  B  B32  1  0.50000000  0.10636459  0.47283567  1.0
  B  B33  1  0.50000000  0.89363541  0.52716433  1.0
  Ir  Ir34  1  0.00000000  0.63743473  0.32280487  1.0
  Ir  Ir35  1  0.00000000  0.36256527  0.67719513  1.0