# generated using pymatgen
data_ThAlPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.26075517
_cell_length_b   7.26075517
_cell_length_c   4.21381866
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000228
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThAlPd
_chemical_formula_sum   'Th3 Al3 Pd3'
_cell_volume   192.38448683
_cell_formula_units_Z   3
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
  Th  Th0  1  0.42190572  0.42190572  0.50000000  1.0
  Th  Th1  1  0.57809428  0.00000000  0.50000000  1.0
  Th  Th2  1  0.00000000  0.57809428  0.50000000  1.0
  Al  Al3  1  0.77087433  0.77087433  -0.00000000  1.0
  Al  Al4  1  0.22912567  0.00000000  0.00000000  1.0
  Al  Al5  1  0.00000000  0.22912567  0.00000000  1.0
  Pd  Pd6  1  0.66666700  0.33333300  0.00000000  1.0
  Pd  Pd7  1  0.33333300  0.66666700  0.00000000  1.0
  Pd  Pd8  1  -0.00000000  -0.00000000  0.50000000  1.0