# generated using pymatgen
data_Ti3Al2PRu6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.26227993
_cell_length_b   6.00817445
_cell_length_c   12.74182927
_cell_angle_alpha   90.00083394
_cell_angle_beta   89.99764215
_cell_angle_gamma   90.00471910
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Al2PRu6
_chemical_formula_sum   'Ti6 Al4 P2 Ru12'
_cell_volume   326.29940558
_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
  Ti  Ti0  1  0.00000143  0.99998535  0.99945062  1.0
  Ti  Ti1  1  0.49995324  0.50001138  0.16726959  1.0
  Ti  Ti2  1  0.99994730  0.00004735  0.33381008  1.0
  Ti  Ti3  1  0.49998735  0.50006093  0.49960555  1.0
  Ti  Ti4  1  0.00005931  0.99993843  0.66704311  1.0
  Ti  Ti5  1  0.50005831  0.49994905  0.83281811  1.0
  Al  Al6  1  0.99994583  0.49998859  0.33272921  1.0
  Al  Al7  1  0.49999230  0.00000501  0.49938026  1.0
  Al  Al8  1  0.00006838  0.49999644  0.66721599  1.0
  Al  Al9  1  0.50004653  0.00002047  0.83400753  1.0
  P  P10  1  0.99999614  0.50001315  0.99779642  1.0
  P  P11  1  0.49993538  0.99998696  0.16885718  1.0
  Ru  Ru12  1  0.50003646  0.25137194  0.00444186  1.0
  Ru  Ru13  1  0.49996195  0.74863699  0.00444852  1.0
  Ru  Ru14  1  0.99991940  0.24865943  0.16227037  1.0
  Ru  Ru15  1  0.00000043  0.75131520  0.16226078  1.0
  Ru  Ru16  1  0.49997712  0.24642036  0.32679443  1.0
  Ru  Ru17  1  0.49993058  0.75356652  0.32682398  1.0
  Ru  Ru18  1  0.99987199  0.24931071  0.49835632  1.0
  Ru  Ru19  1  0.00011284  0.75068429  0.49830036  1.0
  Ru  Ru20  1  0.50016714  0.25066140  0.66827454  1.0
  Ru  Ru21  1  0.49993808  0.74934402  0.66833193  1.0
  Ru  Ru22  1  0.00002032  0.25358194  0.83987434  1.0
  Ru  Ru23  1  0.00007118  0.74643309  0.83984092  1.0