# generated using pymatgen
data_Ti3Al2AuC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.26857513
_cell_length_b   8.26724295
_cell_length_c   8.26875181
_cell_angle_alpha   60.00604556
_cell_angle_beta   59.99013288
_cell_angle_gamma   60.00605874
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Al2AuC
_chemical_formula_sum   'Ti12 Al8 Au4 C4'
_cell_volume   399.69034432
_cell_formula_units_Z   4
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  0.93178460  0.93181680  0.56825211  1.0
  Ti  Ti1  1  0.68174586  0.31819998  0.31821334  1.0
  Ti  Ti2  1  0.31820930  0.68184072  0.68176847  1.0
  Ti  Ti3  1  0.68174827  0.68184016  0.31820842  1.0
  Ti  Ti4  1  0.68182258  0.31815807  0.68183264  1.0
  Ti  Ti5  1  0.31819193  0.68181339  0.31817189  1.0
  Ti  Ti6  1  0.56817916  0.93181308  0.56818303  1.0
  Ti  Ti7  1  0.56825767  0.93180178  0.93178694  1.0
  Ti  Ti8  1  0.93178892  0.56816340  0.56823716  1.0
  Ti  Ti9  1  0.93180476  0.56820406  0.93182139  1.0
  Ti  Ti10  1  0.31822630  0.31818358  0.68175524  1.0
  Ti  Ti11  1  0.56823614  0.56816411  0.93179556  1.0
  Al  Al12  1  0.91412774  0.25762429  0.91413016  1.0
  Al  Al13  1  0.33586709  0.33588927  0.99236800  1.0
  Al  Al14  1  0.99237146  0.33588639  0.33586885  1.0
  Al  Al15  1  0.33586255  0.33588355  0.33586848  1.0
  Al  Al16  1  0.25762405  0.91411895  0.91413556  1.0
  Al  Al17  1  0.91413589  0.91412837  0.91412931  1.0
  Al  Al18  1  0.91413385  0.91411632  0.25763292  1.0
  Al  Al19  1  0.33586306  0.99239038  0.33587526  1.0
  Au  Au20  1  0.12499753  0.62500357  0.12498522  1.0
  Au  Au21  1  0.12500260  0.12499225  0.62500075  1.0
  Au  Au22  1  0.62499971  0.12499270  0.12499284  1.0
  Au  Au23  1  0.12501079  0.12499831  0.12499385  1.0
  C  C24  1  0.62500440  0.12498754  0.62499911  1.0
  C  C25  1  0.62499957  0.62500274  0.12499516  1.0
  C  C26  1  0.12500535  0.62499969  0.62499865  1.0
  C  C27  1  0.62499988  0.62498652  0.62499967  1.0