# generated using pymatgen
data_Ti8Al14PRu7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.58189030
_cell_length_b   8.58191107
_cell_length_c   8.58189323
_cell_angle_alpha   120.11699413
_cell_angle_beta   120.00212373
_cell_angle_gamma   89.89697614
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti8Al14PRu7
_chemical_formula_sum   'Ti8 Al14 P1 Ru7'
_cell_volume   446.52146594
_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
  Ti  Ti0  1  0.80185294  0.29887023  0.09398434  1.0
  Ti  Ti1  1  0.20489283  0.29887278  0.49702495  1.0
  Ti  Ti2  1  0.20012519  0.70012085  0.50001202  1.0
  Ti  Ti3  1  0.20488801  0.70787110  0.90601778  1.0
  Ti  Ti4  1  0.80185789  0.70787065  0.50299031  1.0
  Ti  Ti5  1  0.79180441  0.29180159  0.50000723  1.0
  Ti  Ti6  1  0.37900922  0.11773589  0.73870256  1.0
  Ti  Ti7  1  0.37901338  0.64030774  0.26127208  1.0
  Al  Al8  1  0.16052406  0.33813418  0.17760714  1.0
  Al  Al9  1  0.16052234  0.98292333  0.82239448  1.0
  Al  Al10  1  0.15792906  0.34109875  0.81683111  1.0
  Al  Al11  1  0.52426164  0.34110036  0.18316269  1.0
  Al  Al12  1  0.84088942  0.65999581  0.81910148  1.0
  Al  Al13  1  0.84089178  0.02179110  0.18089278  1.0
  Al  Al14  1  0.83950090  0.66001140  0.17949070  1.0
  Al  Al15  1  0.48052892  0.66001144  0.82051673  1.0
  Al  Al16  1  0.37966587  0.11931256  0.26035253  1.0
  Al  Al17  1  0.85895809  0.11931158  0.73964434  1.0
  Al  Al18  1  0.61984786  0.87859538  0.25874956  1.0
  Al  Al19  1  0.61984636  0.36109693  0.74125269  1.0
  Al  Al20  1  0.62174323  0.87963455  0.74210846  1.0
  Al  Al21  1  0.13752084  0.87963826  0.25788837  1.0
  P  P22  1  0.99635944  0.49635371  0.50000715  1.0
  Ru  Ru23  1  0.00054168  0.00040266  0.50099685  1.0
  Ru  Ru24  1  0.49939929  0.00039740  0.99986285  1.0
  Ru  Ru25  1  0.49870048  0.49870408  0.00000066  1.0
  Ru  Ru26  1  0.49939649  0.49953025  0.49898917  1.0
  Ru  Ru27  1  0.00055145  0.49953685  0.00013747  1.0
  Ru  Ru28  1  0.00048656  0.00048341  0.99999880  1.0
  Ru  Ru29  1  0.49848338  0.99848215  0.50000273  1.0