# generated using pymatgen
data_Ca4FeSi2Pd27
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.84961522
_cell_length_b   8.84961522
_cell_length_c   6.99902612
_cell_angle_alpha   90.34325270
_cell_angle_beta   90.34325270
_cell_angle_gamma   89.23761151
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca4FeSi2Pd27
_chemical_formula_sum   'Ca4 Fe1 Si2 Pd27'
_cell_volume   548.06561995
_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
  Ca  Ca0  1  0.50801243  0.00801243  0.93595037  1.0
  Ca  Ca1  1  0.99198757  0.49198757  0.06404963  1.0
  Ca  Ca2  1  0.00344744  0.99655256  0.50000000  1.0
  Ca  Ca3  1  0.49655256  0.50344744  0.50000000  1.0
  Fe  Fe4  1  0.25000000  0.75000000  0.00000000  1.0
  Si  Si5  1  0.50274768  0.00274768  0.44619094  1.0
  Si  Si6  1  0.99725232  0.49725232  0.55380906  1.0
  Pd  Pd7  1  0.33648973  0.83648973  0.60838513  1.0
  Pd  Pd8  1  0.33328400  0.16745457  0.61866215  1.0
  Pd  Pd9  1  0.66745457  0.83328400  0.61866215  1.0
  Pd  Pd10  1  0.66742059  0.16742059  0.61596819  1.0
  Pd  Pd11  1  0.16351027  0.66351027  0.39161487  1.0
  Pd  Pd12  1  0.16671600  0.33254543  0.38133785  1.0
  Pd  Pd13  1  0.83254543  0.66671600  0.38133785  1.0
  Pd  Pd14  1  0.83257941  0.33257941  0.38403181  1.0
  Pd  Pd15  1  0.49827654  0.77175111  0.25214091  1.0
  Pd  Pd16  1  0.49744072  0.23245374  0.25773100  1.0
  Pd  Pd17  1  0.27175111  0.99827654  0.25214091  1.0
  Pd  Pd18  1  0.73245374  0.99744072  0.25773100  1.0
  Pd  Pd19  1  0.00172346  0.72824889  0.74785909  1.0
  Pd  Pd20  1  0.00255928  0.26754626  0.74226900  1.0
  Pd  Pd21  1  0.22824889  0.50172346  0.74785909  1.0
  Pd  Pd22  1  0.76754626  0.50255928  0.74226900  1.0
  Pd  Pd23  1  0.49843294  0.35330966  0.85616131  1.0
  Pd  Pd24  1  0.49092191  0.66215123  0.86288381  1.0
  Pd  Pd25  1  0.85330966  0.99843294  0.85616131  1.0
  Pd  Pd26  1  0.16215123  0.99092191  0.86288381  1.0
  Pd  Pd27  1  0.00156706  0.14669034  0.14383869  1.0
  Pd  Pd28  1  0.00907809  0.83784877  0.13711619  1.0
  Pd  Pd29  1  0.64669034  0.50156706  0.14383869  1.0
  Pd  Pd30  1  0.33784877  0.50907809  0.13711619  1.0
  Pd  Pd31  1  0.25000000  0.25000000  0.00000000  1.0
  Pd  Pd32  1  0.75000000  0.75000000  0.00000000  1.0
  Pd  Pd33  1  0.75000000  0.25000000  0.00000000  1.0