# generated using pymatgen
data_La2Si2P4Pd21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.63972471
_cell_length_b   8.63972744
_cell_length_c   8.62796827
_cell_angle_alpha   60.04549689
_cell_angle_beta   60.04532970
_cell_angle_gamma   59.97258250
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2Si2P4Pd21
_chemical_formula_sum   'La2 Si2 P4 Pd21'
_cell_volume   455.61819870
_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
  La  La0  1  0.74968181  0.74968010  0.75079877  1.0
  La  La1  1  0.25031756  0.25031883  0.25015814  1.0
  Si  Si2  1  0.74122966  0.25877488  0.74347137  1.0
  Si  Si3  1  0.25878536  0.74121243  0.74347095  1.0
  P  P4  1  0.73853494  0.73853610  0.26398849  1.0
  P  P5  1  0.26014464  0.73985282  0.26270819  1.0
  P  P6  1  0.73984783  0.26015061  0.26270171  1.0
  P  P7  1  0.26146553  0.26145757  0.74106312  1.0
  Pd  Pd8  1  0.99999606  0.00000559  0.98993849  1.0
  Pd  Pd9  1  0.61281670  0.61281722  0.16241864  1.0
  Pd  Pd10  1  0.61380248  0.15943627  0.61397704  1.0
  Pd  Pd11  1  0.15944216  0.61378552  0.61398364  1.0
  Pd  Pd12  1  0.61410715  0.61410674  0.61410929  1.0
  Pd  Pd13  1  0.38589969  0.38588240  0.84233335  1.0
  Pd  Pd14  1  0.38619595  0.84056384  0.38721504  1.0
  Pd  Pd15  1  0.84056529  0.38619902  0.38721272  1.0
  Pd  Pd16  1  0.38720243  0.38720077  0.38802673  1.0
  Pd  Pd17  1  0.99999241  0.00001444  0.34194770  1.0
  Pd  Pd18  1  0.65586551  0.00189909  0.34050029  1.0
  Pd  Pd19  1  0.00188896  0.65587142  0.34050662  1.0
  Pd  Pd20  1  0.65408331  0.34591358  0.00355507  1.0
  Pd  Pd21  1  0.99809969  0.34412870  0.99827848  1.0
  Pd  Pd22  1  0.00468461  0.34528491  0.65140643  1.0
  Pd  Pd23  1  0.34591218  0.65408787  0.00355932  1.0
  Pd  Pd24  1  0.34528110  0.00467848  0.65141247  1.0
  Pd  Pd25  1  0.34412449  0.99811704  0.99827435  1.0
  Pd  Pd26  1  0.00000420  0.99999196  0.65023272  1.0
  Pd  Pd27  1  0.99531626  0.65471285  0.00137417  1.0
  Pd  Pd28  1  0.65471206  0.99531895  0.00137669  1.0