# generated using pymatgen
data_ThSiIr2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.07815245
_cell_length_b   4.07815245
_cell_length_c   10.81053598
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThSiIr2Pd
_chemical_formula_sum   'Th2 Si2 Ir4 Pd2'
_cell_volume   179.79356361
_cell_formula_units_Z   2
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  0.00000000  0.50000000  0.26276498  1.0
  Th  Th1  1  0.50000000  0.00000000  0.73723502  1.0
  Si  Si2  1  0.00000000  0.50000000  0.88345501  1.0
  Si  Si3  1  0.50000000  0.00000000  0.11654499  1.0
  Ir  Ir4  1  0.00000000  0.00000000  0.00000000  1.0
  Ir  Ir5  1  0.50000000  0.50000000  0.00000000  1.0
  Ir  Ir6  1  0.00000000  0.50000000  0.67098634  1.0
  Ir  Ir7  1  0.50000000  0.00000000  0.32901366  1.0
  Pd  Pd8  1  0.00000000  0.00000000  0.50000000  1.0
  Pd  Pd9  1  0.50000000  0.50000000  0.50000000  1.0