# generated using pymatgen
data_CaPr9Si5Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.81747946
_cell_length_b   7.81747965
_cell_length_c   9.19385307
_cell_angle_alpha   115.15996978
_cell_angle_beta   115.15997098
_cell_angle_gamma   90.00000595
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPr9Si5Hg
_chemical_formula_sum   'Ca1 Pr9 Si5 Hg1'
_cell_volume   448.96398742
_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  0.51437956  0.51437956  0.02875912  1.0
  Pr  Pr1  1  0.97073705  0.97073705  0.94147410  1.0
  Pr  Pr2  1  0.97400410  0.82935734  0.28581610  1.0
  Pr  Pr3  1  0.31181200  0.45645776  0.28581610  1.0
  Pr  Pr4  1  0.82935734  0.31181200  0.28581610  1.0
  Pr  Pr5  1  0.45645776  0.97400410  0.28581610  1.0
  Pr  Pr6  1  0.04547345  0.19361301  0.71689223  1.0
  Pr  Pr7  1  0.67141978  0.52328022  0.71689223  1.0
  Pr  Pr8  1  0.19361301  0.67141978  0.71689223  1.0
  Pr  Pr9  1  0.52328022  0.04547345  0.71689223  1.0
  Si  Si10  1  0.25381360  0.25381360  0.50762721  1.0
  Si  Si11  1  0.61639917  0.88940144  0.00426438  1.0
  Si  Si12  1  0.38786521  0.11486193  0.00426438  1.0
  Si  Si13  1  0.88940144  0.38786521  0.00426438  1.0
  Si  Si14  1  0.11486193  0.61639917  0.00426438  1.0
  Hg  Hg15  1  0.74712438  0.74712438  0.49424776  1.0