# generated using pymatgen
data_Ca3Be2(SiPd5)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.61533122
_cell_length_b   8.55145556
_cell_length_c   8.55145533
_cell_angle_alpha   60.49480212
_cell_angle_beta   59.75260382
_cell_angle_gamma   59.75260081
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Be2(SiPd5)4
_chemical_formula_sum   'Ca3 Be2 Si4 Pd20'
_cell_volume   445.43900884
_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  0.25000000  0.25000000  0.25000000  1.0
  Ca  Ca1  1  0.75000000  0.75000000  0.75000000  1.0
  Ca  Ca2  1  0.00000000  0.00000000  0.00000000  1.0
  Be  Be3  1  0.72768332  0.27231668  0.27231668  1.0
  Be  Be4  1  0.27231668  0.72768332  0.72768332  1.0
  Si  Si5  1  0.26998969  0.73001031  0.26998969  1.0
  Si  Si6  1  0.73001031  0.26998969  0.73001031  1.0
  Si  Si7  1  0.26998969  0.26998969  0.73001031  1.0
  Si  Si8  1  0.73001031  0.73001031  0.26998969  1.0
  Pd  Pd9  1  0.38797885  0.38229610  0.38229610  1.0
  Pd  Pd10  1  0.61202115  0.61770390  0.61770390  1.0
  Pd  Pd11  1  0.38229610  0.38797885  0.84742996  1.0
  Pd  Pd12  1  0.38229610  0.84742996  0.38797885  1.0
  Pd  Pd13  1  0.61770390  0.61202115  0.15257004  1.0
  Pd  Pd14  1  0.61770390  0.15257004  0.61202115  1.0
  Pd  Pd15  1  0.84742996  0.38229610  0.38229610  1.0
  Pd  Pd16  1  0.15257004  0.61770390  0.61770390  1.0
  Pd  Pd17  1  0.34394342  1.00000000  0.00000000  1.0
  Pd  Pd18  1  0.65605658  0.00000000  1.00000000  1.0
  Pd  Pd19  1  1.00000000  0.34394342  0.65605658  1.0
  Pd  Pd20  1  0.00000000  0.65605658  0.34394342  1.0
  Pd  Pd21  1  0.99559874  0.34196164  0.00440126  1.0
  Pd  Pd22  1  0.65803836  0.00440126  0.34196164  1.0
  Pd  Pd23  1  0.00440126  0.65803836  0.99559874  1.0
  Pd  Pd24  1  0.34196164  0.99559874  0.65803836  1.0
  Pd  Pd25  1  0.99559874  0.00440126  0.34196164  1.0
  Pd  Pd26  1  0.00440126  0.99559874  0.65803836  1.0
  Pd  Pd27  1  0.65803836  0.34196164  0.00440126  1.0
  Pd  Pd28  1  0.34196164  0.65803836  0.99559874  1.0