# generated using pymatgen
data_Zr6Tc3IrRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62280091
_cell_length_b   6.55454109
_cell_length_c   13.85886625
_cell_angle_alpha   90.00000000
_cell_angle_beta   89.99988234
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr6Tc3IrRu2
_chemical_formula_sum   'Zr12 Tc6 Ir2 Ru4'
_cell_volume   419.92833830
_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
  Zr  Zr0  1  0.49999945  0.25112944  0.99847394  1.0
  Zr  Zr1  1  0.49999945  0.74887056  0.99847394  1.0
  Zr  Zr2  1  0.99998729  0.24887247  0.16815505  1.0
  Zr  Zr3  1  0.99998729  0.75112753  0.16815505  1.0
  Zr  Zr4  1  0.49999151  0.24891327  0.33509343  1.0
  Zr  Zr5  1  0.49999151  0.75108773  0.33509343  1.0
  Zr  Zr6  1  0.00000063  0.24993830  0.50040366  1.0
  Zr  Zr7  1  0.00000063  0.75006170  0.50040366  1.0
  Zr  Zr8  1  0.50001365  0.25006056  0.66629800  1.0
  Zr  Zr9  1  0.50001365  0.74994044  0.66629800  1.0
  Zr  Zr10  1  0.00000844  0.25109076  0.83157327  1.0
  Zr  Zr11  1  0.00000844  0.74890924  0.83157327  1.0
  Tc  Tc12  1  0.99999930  0.50000000  0.00084930  1.0
  Tc  Tc13  1  0.49998819  0.00000000  0.16578870  1.0
  Tc  Tc14  1  0.99999028  0.50000000  0.33244001  1.0
  Tc  Tc15  1  0.50000083  0.00000000  0.49999427  1.0
  Tc  Tc16  1  0.00001147  0.50000000  0.66669702  1.0
  Tc  Tc17  1  0.50001013  0.00000000  0.83422990  1.0
  Ir  Ir18  1  0.00000030  0.00000000  0.00028496  1.0
  Ir  Ir19  1  0.49998814  0.50000000  0.16637216  1.0
  Ru  Ru20  1  0.99998892  0.00000000  0.33246357  1.0
  Ru  Ru21  1  0.50000096  0.50000000  0.49942450  1.0
  Ru  Ru22  1  0.00001065  0.00000000  0.66726249  1.0
  Ru  Ru23  1  0.50001091  0.50000000  0.83420341  1.0