# generated using pymatgen
data_Ca2HgPd6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29175703
_cell_length_b   5.31392310
_cell_length_c   13.55530266
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.62917060
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2HgPd6
_chemical_formula_sum   'Ca4 Hg2 Pd12'
_cell_volume   331.33380772
_cell_formula_units_Z   2
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  0.32792850  0.32470230  0.11985233  1.0
  Ca  Ca1  1  0.67207150  0.67529770  0.61985233  1.0
  Ca  Ca2  1  0.33533666  0.32556874  0.38009615  1.0
  Ca  Ca3  1  0.66466334  0.67443126  0.88009615  1.0
  Hg  Hg4  1  0.00228778  0.66646495  0.07484867  1.0
  Hg  Hg5  1  0.99771222  0.33353505  0.57484867  1.0
  Pd  Pd6  1  0.84299531  0.83866502  0.25133030  1.0
  Pd  Pd7  1  0.15700469  0.16133498  0.75133030  1.0
  Pd  Pd8  1  0.82973405  0.33098275  0.25157995  1.0
  Pd  Pd9  1  0.17026595  0.66901725  0.75157995  1.0
  Pd  Pd10  1  0.33710621  0.82514705  0.25021871  1.0
  Pd  Pd11  1  0.66289379  0.17485295  0.75021871  1.0
  Pd  Pd12  1  0.65430843  0.98622623  0.42143543  1.0
  Pd  Pd13  1  0.34569157  0.01377377  0.92143543  1.0
  Pd  Pd14  1  0.99234772  0.32550751  0.92163979  1.0
  Pd  Pd15  1  0.00765228  0.67449249  0.42163979  1.0
  Pd  Pd16  1  0.33529705  0.00786074  0.57899866  1.0
  Pd  Pd17  1  0.66470295  0.99213926  0.07899866  1.0