# generated using pymatgen
data_Ti6PdAuN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81693883
_cell_length_b   5.81693876
_cell_length_c   5.81693844
_cell_angle_alpha   120.29073966
_cell_angle_beta   120.29072449
_cell_angle_gamma   89.49717232
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti6PdAuN2
_chemical_formula_sum   'Ti6 Pd1 Au1 N2'
_cell_volume   138.55992853
_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  0.22962114  0.72962114  0.95368402  1.0
  Ti  Ti1  1  0.72406388  0.77037886  0.50000000  1.0
  Ti  Ti2  1  0.25000000  0.25000000  0.00000000  1.0
  Ti  Ti3  1  0.27037886  0.22406388  0.50000000  1.0
  Ti  Ti4  1  0.77593612  0.27593612  0.04631598  1.0
  Ti  Ti5  1  0.75000000  0.75000000  0.00000000  1.0
  Pd  Pd6  1  0.25000000  0.75000000  0.50000000  1.0
  Au  Au7  1  0.75000000  0.25000000  0.50000000  1.0
  N  N8  1  0.50000000  0.50000000  0.00000000  1.0
  N  N9  1  0.00000000  0.00000000  0.00000000  1.0