# generated using pymatgen
data_Ca8Si12NiPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.14954156
_cell_length_b   8.14954246
_cell_length_c   8.56219067
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999240
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca8Si12NiPd3
_chemical_formula_sum   'Ca8 Si12 Ni1 Pd3'
_cell_volume   492.47247829
_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  0.50036328  0.49963672  0.75083422  1.0
  Ca  Ca1  1  0.50097363  0.49902637  0.24921982  1.0
  Ca  Ca2  1  0.99927344  0.49963672  0.75083422  1.0
  Ca  Ca3  1  0.99805174  0.49902637  0.24921982  1.0
  Ca  Ca4  1  0.50036328  0.00072656  0.75083422  1.0
  Ca  Ca5  1  0.50097363  0.00194826  0.24921982  1.0
  Ca  Ca6  1  0.00000000  0.00000000  0.75150950  1.0
  Ca  Ca7  1  0.00000000  0.00000000  0.24846033  1.0
  Si  Si8  1  0.82862190  0.17137810  0.99974108  1.0
  Si  Si9  1  0.16518914  0.83481086  0.00009949  1.0
  Si  Si10  1  0.34275521  0.17137810  0.99974108  1.0
  Si  Si11  1  0.16545908  0.83454092  0.49989043  1.0
  Si  Si12  1  0.66962172  0.83481086  0.00009949  1.0
  Si  Si13  1  0.83474739  0.16525261  0.50014794  1.0
  Si  Si14  1  0.82862190  0.65724479  0.99974108  1.0
  Si  Si15  1  0.66908185  0.83454092  0.49989043  1.0
  Si  Si16  1  0.16518914  0.33037828  0.00009949  1.0
  Si  Si17  1  0.33050523  0.16525261  0.50014794  1.0
  Si  Si18  1  0.16545908  0.33091815  0.49989043  1.0
  Si  Si19  1  0.83474739  0.66949477  0.50014794  1.0
  Ni  Ni20  1  0.66666700  0.33333300  0.99937093  1.0
  Pd  Pd21  1  0.33333300  0.66666700  0.00079266  1.0
  Pd  Pd22  1  0.33333300  0.66666700  0.49934159  1.0
  Pd  Pd23  1  0.66666700  0.33333300  0.50072204  1.0