# generated using pymatgen
data_Ca2Hg3Pd4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47779269
_cell_length_b   5.45437958
_cell_length_c   13.83261039
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.62210544
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Hg3Pd4
_chemical_formula_sum   'Ca4 Hg6 Pd8'
_cell_volume   359.27493638
_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  0.31099857  0.32809268  0.12428039  1.0
  Ca  Ca1  1  0.68900143  0.67190732  0.62428039  1.0
  Ca  Ca2  1  0.31337420  0.32430440  0.37028622  1.0
  Ca  Ca3  1  0.68662580  0.67569560  0.87028622  1.0
  Hg  Hg4  1  0.96289512  0.66206200  0.08080230  1.0
  Hg  Hg5  1  0.03710488  0.33793800  0.58080230  1.0
  Hg  Hg6  1  0.63864956  0.98858559  0.42279249  1.0
  Hg  Hg7  1  0.36135044  0.01141441  0.92279249  1.0
  Hg  Hg8  1  0.01252737  0.32507560  0.92181285  1.0
  Hg  Hg9  1  0.98747263  0.67492440  0.42181285  1.0
  Pd  Pd10  1  0.81550697  0.83231521  0.25193769  1.0
  Pd  Pd11  1  0.18449303  0.16768479  0.75193769  1.0
  Pd  Pd12  1  0.81561443  0.32931187  0.25145449  1.0
  Pd  Pd13  1  0.18438557  0.67068813  0.75145449  1.0
  Pd  Pd14  1  0.31884777  0.83049576  0.24555699  1.0
  Pd  Pd15  1  0.68115223  0.16950424  0.74555699  1.0
  Pd  Pd16  1  0.33143277  0.00206675  0.58107457  1.0
  Pd  Pd17  1  0.66856723  0.99793325  0.08107457  1.0