# generated using pymatgen
data_Th3Be3P3Pd20
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.65423004
_cell_length_b   8.62270027
_cell_length_c   8.55302612
_cell_angle_alpha   60.51033629
_cell_angle_beta   60.14329595
_cell_angle_gamma   59.34637324
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th3Be3P3Pd20
_chemical_formula_sum   'Th3 Be3 P3 Pd20'
_cell_volume   451.21467688
_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  0.25027015  0.24972985  0.25027015  1.0
  Th  Th1  1  0.75027015  0.74972985  0.75027015  1.0
  Th  Th2  1  0.00649802  0.99350198  0.00649802  1.0
  Be  Be3  1  0.72857087  0.27142913  0.26987763  1.0
  Be  Be4  1  0.26987763  0.73012237  0.72857087  1.0
  Be  Be5  1  0.27194557  0.72805443  0.27194557  1.0
  P  P6  1  0.73376732  0.26623268  0.73376732  1.0
  P  P7  1  0.26702184  0.27014200  0.72985800  1.0
  P  P8  1  0.72985800  0.73297816  0.26702184  1.0
  Pd  Pd9  1  0.38470795  0.38639960  0.38056359  1.0
  Pd  Pd10  1  0.61094982  0.61775354  0.61618914  1.0
  Pd  Pd11  1  0.38224646  0.38905018  0.84489249  1.0
  Pd  Pd12  1  0.38056359  0.84832886  0.38470795  1.0
  Pd  Pd13  1  0.61360040  0.61529205  0.15167114  1.0
  Pd  Pd14  1  0.61618914  0.15510751  0.61094982  1.0
  Pd  Pd15  1  0.84489249  0.38381086  0.38224646  1.0
  Pd  Pd16  1  0.15167114  0.61943641  0.61360040  1.0
  Pd  Pd17  1  0.34434025  0.99529678  0.00470322  1.0
  Pd  Pd18  1  0.65402720  0.00169412  0.99830588  1.0
  Pd  Pd19  1  0.99830588  0.34597280  0.65402720  1.0
  Pd  Pd20  1  0.00470322  0.65565975  0.34434025  1.0
  Pd  Pd21  1  0.99708121  0.34333992  0.00497808  1.0
  Pd  Pd22  1  0.65666008  0.00291879  0.34539922  1.0
  Pd  Pd23  1  0.00497808  0.65460078  0.99708121  1.0
  Pd  Pd24  1  0.34539922  0.99502192  0.65666008  1.0
  Pd  Pd25  1  0.99994669  0.00005331  0.34292675  1.0
  Pd  Pd26  1  0.00392950  0.99607050  0.65479937  1.0
  Pd  Pd27  1  0.65479937  0.34520063  0.00392950  1.0
  Pd  Pd28  1  0.34292675  0.65707325  0.99994669  1.0