# generated using pymatgen
data_Ta6Tc5B6Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16029572
_cell_length_b   9.01266990
_cell_length_c   15.60959830
_cell_angle_alpha   89.81101117
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta6Tc5B6Ir
_chemical_formula_sum   'Ta12 Tc10 B12 Ir2'
_cell_volume   444.60111927
_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
  Ta  Ta0  1  0.00000000  0.80569634  0.49413810  1.0
  Ta  Ta1  1  0.00000000  0.19430366  0.50586190  1.0
  Ta  Ta2  1  0.00000000  0.30539966  0.00716807  1.0
  Ta  Ta3  1  0.00000000  0.69460034  0.99283193  1.0
  Ta  Ta4  1  0.00000000  0.51587383  0.59566963  1.0
  Ta  Ta5  1  0.00000000  0.48412617  0.40433037  1.0
  Ta  Ta6  1  0.00000000  0.01581804  0.90514353  1.0
  Ta  Ta7  1  0.00000000  0.98418196  0.09485647  1.0
  Ta  Ta8  1  0.00000000  0.67536372  0.20669443  1.0
  Ta  Ta9  1  0.00000000  0.32463628  0.79330557  1.0
  Ta  Ta10  1  0.00000000  0.18441383  0.29467781  1.0
  Ta  Ta11  1  0.00000000  0.81558617  0.70532219  1.0
  Tc  Tc12  1  0.50000000  0.71858404  0.35782103  1.0
  Tc  Tc13  1  0.50000000  0.28141596  0.64217897  1.0
  Tc  Tc14  1  0.50000000  0.21469578  0.14246134  1.0
  Tc  Tc15  1  0.50000000  0.78530422  0.85753866  1.0
  Tc  Tc16  1  0.50000000  0.51838429  0.09524621  1.0
  Tc  Tc17  1  0.50000000  0.48161571  0.90475379  1.0
  Tc  Tc18  1  0.50000000  0.01832324  0.40364688  1.0
  Tc  Tc19  1  0.50000000  0.98167676  0.59635312  1.0
  Tc  Tc20  1  0.50000000  0.56924652  0.73224259  1.0
  Tc  Tc21  1  0.50000000  0.43075348  0.26775741  1.0
  B  B22  1  0.50000000  0.60537583  0.49425487  1.0
  B  B23  1  0.50000000  0.39462417  0.50574513  1.0
  B  B24  1  0.50000000  0.10488881  0.00469570  1.0
  B  B25  1  0.50000000  0.89511119  0.99530430  1.0
  B  B26  1  0.00000000  0.61041676  0.83251272  1.0
  B  B27  1  0.00000000  0.38958324  0.16748728  1.0
  B  B28  1  0.00000000  0.11171743  0.66477586  1.0
  B  B29  1  0.00000000  0.88828257  0.33522414  1.0
  B  B30  1  0.50000000  0.71624782  0.60194901  1.0
  B  B31  1  0.50000000  0.28375218  0.39805099  1.0
  B  B32  1  0.50000000  0.21855019  0.89935718  1.0
  B  B33  1  0.50000000  0.78144981  0.10064282  1.0
  Ir  Ir34  1  0.50000000  0.06947408  0.76730228  1.0
  Ir  Ir35  1  0.50000000  0.93052592  0.23269772  1.0