# generated using pymatgen
data_Th2SiP5Pd21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.62436486
_cell_length_b   8.62509590
_cell_length_c   8.62509556
_cell_angle_alpha   59.99438924
_cell_angle_beta   60.00280825
_cell_angle_gamma   60.00280379
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2SiP5Pd21
_chemical_formula_sum   'Th2 Si1 P5 Pd21'
_cell_volume   453.66990415
_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
  Th  Th0  1  0.74937727  0.75062273  0.75062273  1.0
  Th  Th1  1  0.24937727  0.25062273  0.25062273  1.0
  Si  Si2  1  0.25560119  0.74439881  0.74439881  1.0
  P  P3  1  0.73909940  0.74147525  0.26090060  1.0
  P  P4  1  0.25852475  0.74147525  0.26090060  1.0
  P  P5  1  0.74047663  0.25952337  0.25952337  1.0
  P  P6  1  0.25852475  0.26090060  0.74147525  1.0
  P  P7  1  0.73909940  0.26090060  0.74147525  1.0
  Pd  Pd8  1  0.00549865  0.99450135  0.99450135  1.0
  Pd  Pd9  1  0.61389188  0.61458779  0.15762744  1.0
  Pd  Pd10  1  0.61389188  0.15762744  0.61458779  1.0
  Pd  Pd11  1  0.15506574  0.61542116  0.61542116  1.0
  Pd  Pd12  1  0.61409094  0.61542116  0.61542116  1.0
  Pd  Pd13  1  0.38457884  0.38590906  0.84493426  1.0
  Pd  Pd14  1  0.38457884  0.84493426  0.38590906  1.0
  Pd  Pd15  1  0.84237256  0.38610812  0.38610812  1.0
  Pd  Pd16  1  0.38541221  0.38610812  0.38610812  1.0
  Pd  Pd17  1  0.00014186  0.99985814  0.34381945  1.0
  Pd  Pd18  1  0.65618055  0.99985814  0.34381945  1.0
  Pd  Pd19  1  0.00200748  0.65312059  0.34286446  1.0
  Pd  Pd20  1  0.65618055  0.34381945  0.99985814  1.0
  Pd  Pd21  1  0.00014186  0.34381945  0.99985814  1.0
  Pd  Pd22  1  0.00200748  0.34286446  0.65312059  1.0
  Pd  Pd23  1  0.34831667  0.65168333  0.00338615  1.0
  Pd  Pd24  1  0.34831667  0.00338615  0.65168333  1.0
  Pd  Pd25  1  0.34687941  0.99799252  0.99799252  1.0
  Pd  Pd26  1  0.99661385  0.00338615  0.65168333  1.0
  Pd  Pd27  1  0.99661385  0.65168333  0.00338615  1.0
  Pd  Pd28  1  0.65713554  0.99799252  0.99799252  1.0