# generated using pymatgen
data_Ti3Al2PdC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.21810010
_cell_length_b   8.21810116
_cell_length_c   8.21810017
_cell_angle_alpha   60.00000001
_cell_angle_beta   59.99999576
_cell_angle_gamma   60.00000142
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Al2PdC
_chemical_formula_sum   'Ti12 Al8 Pd4 C4'
_cell_volume   392.46355450
_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  0.56668727  0.93331273  0.56668727  1.0
  Ti  Ti1  1  0.31668727  0.68331273  0.68331273  1.0
  Ti  Ti2  1  0.68331273  0.31668727  0.31668727  1.0
  Ti  Ti3  1  0.31668727  0.68331273  0.31668727  1.0
  Ti  Ti4  1  0.68331273  0.68331273  0.31668727  1.0
  Ti  Ti5  1  0.31668727  0.31668727  0.68331273  1.0
  Ti  Ti6  1  0.56668727  0.56668727  0.93331273  1.0
  Ti  Ti7  1  0.93331273  0.56668727  0.56668727  1.0
  Ti  Ti8  1  0.56668727  0.93331273  0.93331273  1.0
  Ti  Ti9  1  0.93331273  0.93331273  0.56668727  1.0
  Ti  Ti10  1  0.68331273  0.31668727  0.68331273  1.0
  Ti  Ti11  1  0.93331273  0.56668727  0.93331273  1.0
  Al  Al12  1  0.91545008  0.91545008  0.91545008  1.0
  Al  Al13  1  0.99634725  0.33454992  0.33454992  1.0
  Al  Al14  1  0.33454992  0.99634725  0.33454992  1.0
  Al  Al15  1  0.33454992  0.33454992  0.99634725  1.0
  Al  Al16  1  0.91545008  0.25365275  0.91545008  1.0
  Al  Al17  1  0.91545008  0.91545008  0.25365275  1.0
  Al  Al18  1  0.25365275  0.91545008  0.91545008  1.0
  Al  Al19  1  0.33454992  0.33454992  0.33454992  1.0
  Pd  Pd20  1  0.12500000  0.12500000  0.12500000  1.0
  Pd  Pd21  1  0.62500000  0.12500000  0.12500000  1.0
  Pd  Pd22  1  0.12500000  0.62500000  0.12500000  1.0
  Pd  Pd23  1  0.12500000  0.12500000  0.62500000  1.0
  C  C24  1  0.62500000  0.62500000  0.62500000  1.0
  C  C25  1  0.12500000  0.62500000  0.62500000  1.0
  C  C26  1  0.62500000  0.12500000  0.62500000  1.0
  C  C27  1  0.62500000  0.62500000  0.12500000  1.0