# generated using pymatgen
data_Zr11Sc(TcIr)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63544072
_cell_length_b   6.54065116
_cell_length_c   13.90250231
_cell_angle_alpha   89.99962578
_cell_angle_beta   89.99999198
_cell_angle_gamma   89.99990248
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr11Sc(TcIr)6
_chemical_formula_sum   'Zr11 Sc1 Tc6 Ir6'
_cell_volume   421.50719722
_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
  Zr  Zr0  1  0.49999967  0.74906591  0.99996643  1.0
  Zr  Zr1  1  0.99999276  0.24991879  0.16394568  1.0
  Zr  Zr2  1  0.99999233  0.75007233  0.16554990  1.0
  Zr  Zr3  1  0.49999367  0.25060071  0.33227982  1.0
  Zr  Zr4  1  0.49998697  0.75049724  0.33264563  1.0
  Zr  Zr5  1  0.00000098  0.24996146  0.50003716  1.0
  Zr  Zr6  1  0.99999996  0.74984439  0.50003793  1.0
  Zr  Zr7  1  0.50000637  0.25060459  0.66775004  1.0
  Zr  Zr8  1  0.50001444  0.75048677  0.66738958  1.0
  Zr  Zr9  1  0.00000603  0.24991294  0.83601932  1.0
  Zr  Zr10  1  0.00000918  0.75007665  0.83441383  1.0
  Sc  Sc11  1  0.50000034  0.24903588  0.99997630  1.0
  Tc  Tc12  1  0.99999944  0.99679886  0.99996300  1.0
  Tc  Tc13  1  0.49999085  0.50097999  0.16756776  1.0
  Tc  Tc14  1  0.99999048  0.00052756  0.33320135  1.0
  Tc  Tc15  1  0.50000040  0.50010338  0.50003438  1.0
  Tc  Tc16  1  0.00000914  0.00052891  0.66683264  1.0
  Tc  Tc17  1  0.50000750  0.50097731  0.83239697  1.0
  Ir  Ir18  1  0.99999963  0.49945976  0.99997185  1.0
  Ir  Ir19  1  0.49998927  0.00014100  0.16674070  1.0
  Ir  Ir20  1  0.99998957  0.49989826  0.33309663  1.0
  Ir  Ir21  1  0.50000033  0.00047154  0.50002379  1.0
  Ir  Ir22  1  0.00000989  0.49989599  0.66692911  1.0
  Ir  Ir23  1  0.50000877  0.00014178  0.83323121  1.0