# generated using pymatgen
data_Zr6AlTc3Ru2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63351895
_cell_length_b   6.60299677
_cell_length_c   13.97955555
_cell_angle_alpha   89.99997168
_cell_angle_beta   90.00020453
_cell_angle_gamma   90.00306634
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr6AlTc3Ru2
_chemical_formula_sum   'Zr12 Al2 Tc6 Ru4'
_cell_volume   427.70604854
_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  0.49996346  0.24331218  0.99467624  1.0
  Zr  Zr1  1  0.50004347  0.75668886  0.99467662  1.0
  Zr  Zr2  1  0.00003199  0.25669105  0.17198311  1.0
  Zr  Zr3  1  0.99995640  0.74331188  0.17198358  1.0
  Zr  Zr4  1  0.50002437  0.25330862  0.33893383  1.0
  Zr  Zr5  1  0.49996036  0.74669316  0.33893370  1.0
  Zr  Zr6  1  0.00000631  0.24996869  0.50129392  1.0
  Zr  Zr7  1  0.99999033  0.75003165  0.50129391  1.0
  Zr  Zr8  1  0.49999463  0.25003291  0.66537741  1.0
  Zr  Zr9  1  0.50001315  0.74996665  0.66537774  1.0
  Zr  Zr10  1  0.99997425  0.24668908  0.82773630  1.0
  Zr  Zr11  1  0.00004080  0.75330993  0.82773521  1.0
  Al  Al12  1  0.00000237  0.50000025  0.99887284  1.0
  Al  Al13  1  0.49999557  0.00000424  0.16778992  1.0
  Tc  Tc14  1  0.00000348  0.00000070  0.00314202  1.0
  Tc  Tc15  1  0.49999230  0.49999888  0.16351722  1.0
  Tc  Tc16  1  0.99999276  0.00000030  0.33006635  1.0
  Tc  Tc17  1  0.49999758  0.50000078  0.50118874  1.0
  Tc  Tc18  1  0.00000489  0.99999992  0.66548297  1.0
  Tc  Tc19  1  0.50000663  0.50000054  0.83660000  1.0
  Ru  Ru20  1  0.99999295  0.50000010  0.33473664  1.0
  Ru  Ru21  1  0.49999805  0.99999999  0.49994029  1.0
  Ru  Ru22  1  0.00000373  0.50000013  0.66673254  1.0
  Ru  Ru23  1  0.50000716  0.00000051  0.83192891  1.0