# generated using pymatgen
data_Th2Si2As4Pd21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.76737664
_cell_length_b   8.76737649
_cell_length_c   8.73572042
_cell_angle_alpha   60.11936817
_cell_angle_beta   60.11936873
_cell_angle_gamma   59.64844977
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2Si2As4Pd21
_chemical_formula_sum   'Th2 Si2 As4 Pd21'
_cell_volume   474.38725196
_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  0.74994472  0.74994472  0.75063200  1.0
  Th  Th1  1  0.25005528  0.25005528  0.25052044  1.0
  Si  Si2  1  0.73952743  0.26047257  0.74011758  1.0
  Si  Si3  1  0.26047257  0.73952743  0.74011758  1.0
  As  As4  1  0.73888179  0.73888179  0.26120269  1.0
  As  As5  1  0.25900068  0.74099932  0.25925643  1.0
  As  As6  1  0.74099932  0.25900068  0.25925643  1.0
  As  As7  1  0.26111821  0.26111821  0.73896627  1.0
  Pd  Pd8  1  0.00000000  0.00000000  0.99953457  1.0
  Pd  Pd9  1  0.61592064  0.61592064  0.15391349  1.0
  Pd  Pd10  1  0.61900794  0.15271209  0.62082247  1.0
  Pd  Pd11  1  0.15271209  0.61900794  0.62082247  1.0
  Pd  Pd12  1  0.61287643  0.61287643  0.62286248  1.0
  Pd  Pd13  1  0.38712357  0.38712357  0.84861635  1.0
  Pd  Pd14  1  0.38099206  0.84728791  0.39254350  1.0
  Pd  Pd15  1  0.84728791  0.38099206  0.39254350  1.0
  Pd  Pd16  1  0.38407936  0.38407936  0.38575577  1.0
  Pd  Pd17  1  0.00000000  0.00000000  0.35238036  1.0
  Pd  Pd18  1  0.64553187  0.00447100  0.34533908  1.0
  Pd  Pd19  1  0.00447100  0.64553187  0.34533908  1.0
  Pd  Pd20  1  0.65239147  0.34760853  0.99477134  1.0
  Pd  Pd21  1  0.99552900  0.35446813  0.99534194  1.0
  Pd  Pd22  1  0.99788131  0.34256086  0.65050396  1.0
  Pd  Pd23  1  0.34760853  0.65239147  0.99477134  1.0
  Pd  Pd24  1  0.34256086  0.99788131  0.65050396  1.0
  Pd  Pd25  1  0.35446813  0.99552900  0.99534194  1.0
  Pd  Pd26  1  0.00000000  0.00000000  0.65633667  1.0
  Pd  Pd27  1  0.00211869  0.65743914  0.99094614  1.0
  Pd  Pd28  1  0.65743914  0.00211869  0.99094614  1.0