# generated using pymatgen
data_Ca8Si12HgPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.24613493
_cell_length_b   8.24613593
_cell_length_c   8.59118930
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999992
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca8Si12HgPd3
_chemical_formula_sum   'Ca8 Si12 Hg1 Pd3'
_cell_volume   505.92349350
_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  0.49652888  0.50347112  0.74124002  1.0
  Ca  Ca1  1  0.49719061  0.50280939  0.25846653  1.0
  Ca  Ca2  1  0.00694325  0.50347112  0.74124002  1.0
  Ca  Ca3  1  0.00561879  0.50280939  0.25846653  1.0
  Ca  Ca4  1  0.49652888  0.99305675  0.74124002  1.0
  Ca  Ca5  1  0.49719061  0.99438121  0.25846653  1.0
  Ca  Ca6  1  0.00000000  0.00000000  0.74462369  1.0
  Ca  Ca7  1  0.00000000  0.00000000  0.25616986  1.0
  Si  Si8  1  0.84309158  0.15690842  0.00110350  1.0
  Si  Si9  1  0.16845607  0.83154393  0.99960348  1.0
  Si  Si10  1  0.31381685  0.15690842  0.00110350  1.0
  Si  Si11  1  0.16471521  0.83528479  0.49999027  1.0
  Si  Si12  1  0.66308887  0.83154393  0.99960348  1.0
  Si  Si13  1  0.83445683  0.16554317  0.49997232  1.0
  Si  Si14  1  0.84309158  0.68618315  0.00110350  1.0
  Si  Si15  1  0.67056957  0.83528479  0.49999027  1.0
  Si  Si16  1  0.16845607  0.33691113  0.99960348  1.0
  Si  Si17  1  0.33108533  0.16554317  0.49997232  1.0
  Si  Si18  1  0.16471521  0.32943043  0.49999027  1.0
  Si  Si19  1  0.83445683  0.66891467  0.49997232  1.0
  Hg  Hg20  1  0.66666700  0.33333300  0.99708222  1.0
  Pd  Pd21  1  0.33333300  0.66666700  0.00066242  1.0
  Pd  Pd22  1  0.33333300  0.66666700  0.49930601  1.0
  Pd  Pd23  1  0.66666700  0.33333300  0.50102143  1.0