# generated using pymatgen
data_CaYb7(Si3Pd)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.20658480
_cell_length_b   8.20658383
_cell_length_c   8.20498689
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000392
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaYb7(Si3Pd)4
_chemical_formula_sum   'Ca1 Yb7 Si12 Pd4'
_cell_volume   478.55667474
_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  0.00000000  0.00000000  0.75000000  1.0
  Yb  Yb1  1  0.50077535  0.00154971  0.25000000  1.0
  Yb  Yb2  1  0.49924978  0.99850155  0.75000000  1.0
  Yb  Yb3  1  0.99845029  0.49922465  0.25000000  1.0
  Yb  Yb4  1  0.00149845  0.50075022  0.75000000  1.0
  Yb  Yb5  1  0.50077535  0.49922465  0.25000000  1.0
  Yb  Yb6  1  0.49924978  0.50075022  0.75000000  1.0
  Yb  Yb7  1  0.00000000  0.00000000  0.25000000  1.0
  Si  Si8  1  0.16442014  0.32884028  0.00219438  1.0
  Si  Si9  1  0.83558453  0.67116806  0.00115597  1.0
  Si  Si10  1  0.67115972  0.83557986  0.00219438  1.0
  Si  Si11  1  0.83558453  0.67116806  0.49884403  1.0
  Si  Si12  1  0.32883194  0.16441547  0.00115597  1.0
  Si  Si13  1  0.16442014  0.32884028  0.49780562  1.0
  Si  Si14  1  0.16442014  0.83557986  0.00219438  1.0
  Si  Si15  1  0.32883194  0.16441547  0.49884403  1.0
  Si  Si16  1  0.83558453  0.16441547  0.00115597  1.0
  Si  Si17  1  0.67115972  0.83557986  0.49780562  1.0
  Si  Si18  1  0.83558453  0.16441547  0.49884403  1.0
  Si  Si19  1  0.16442014  0.83557986  0.49780562  1.0
  Pd  Pd20  1  0.33333300  0.66666700  0.00132612  1.0
  Pd  Pd21  1  0.66666700  0.33333300  0.99811695  1.0
  Pd  Pd22  1  0.66666700  0.33333300  0.50188305  1.0
  Pd  Pd23  1  0.33333300  0.66666700  0.49867388  1.0