# generated using pymatgen
data_Li6Ca17Hg9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.56943323
_cell_length_b   13.56943323
_cell_length_c   13.56943323
_cell_angle_alpha   109.47122063
_cell_angle_beta   109.47122063
_cell_angle_gamma   109.47122063
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6Ca17Hg9
_chemical_formula_sum   'Li12 Ca34 Hg18'
_cell_volume   1923.37175759
_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
  Li  Li0  1  0.69468788  0.84734394  0.84734394  1
  Li  Li1  1  0.84734394  0.00000000  0.15265606  1
  Li  Li2  1  0.84734394  0.15265606  0.00000000  1
  Li  Li3  1  0.00000000  0.84734394  0.15265606  1
  Li  Li4  1  0.84734394  0.69468788  0.84734394  1
  Li  Li5  1  0.15265606  0.84734394  0.00000000  1
  Li  Li6  1  0.00000000  0.15265606  0.84734394  1
  Li  Li7  1  0.15265606  0.00000000  0.84734394  1
  Li  Li8  1  0.84734394  0.84734394  0.69468788  1
  Li  Li9  1  0.30531212  0.15265606  0.15265606  1
  Li  Li10  1  0.15265606  0.30531212  0.15265606  1
  Li  Li11  1  0.15265606  0.15265606  0.30531212  1
  Ca  Ca12  1  0.54573636  0.80868118  0.00000000  1
  Ca  Ca13  1  0.73705518  0.19131882  0.19131882  1
  Ca  Ca14  1  0.54573636  0.00000000  0.80868118  1
  Ca  Ca15  1  0.80868118  0.54573636  0.00000000  1
  Ca  Ca16  1  0.00000000  0.54573636  0.80868118  1
  Ca  Ca17  1  0.19131882  0.73705518  0.19131882  1
  Ca  Ca18  1  0.19131882  0.19131882  0.73705518  1
  Ca  Ca19  1  0.00000000  0.80868118  0.54573636  1
  Ca  Ca20  1  0.80868118  0.00000000  0.54573636  1
  Ca  Ca21  1  0.45426364  0.45426364  0.26294482  1
  Ca  Ca22  1  0.26294482  0.45426364  0.45426364  1
  Ca  Ca23  1  0.45426364  0.26294482  0.45426364  1
  Ca  Ca24  1  0.45426364  0.19131882  0.00000000  1
  Ca  Ca25  1  0.26294482  0.80868118  0.80868118  1
  Ca  Ca26  1  0.45426364  0.00000000  0.19131882  1
  Ca  Ca27  1  0.19131882  0.45426364  0.00000000  1
  Ca  Ca28  1  0.00000000  0.45426364  0.19131882  1
  Ca  Ca29  1  0.80868118  0.26294482  0.80868118  1
  Ca  Ca30  1  0.80868118  0.80868118  0.26294482  1
  Ca  Ca31  1  0.00000000  0.19131882  0.45426364  1
  Ca  Ca32  1  0.19131882  0.00000000  0.45426364  1
  Ca  Ca33  1  0.54573636  0.54573636  0.73705518  1
  Ca  Ca34  1  0.73705518  0.54573636  0.54573636  1
  Ca  Ca35  1  0.54573636  0.73705518  0.54573636  1
  Ca  Ca36  1  0.50000000  0.75000000  0.25000000  1
  Ca  Ca37  1  0.75000000  0.50000000  0.25000000  1
  Ca  Ca38  1  0.25000000  0.75000000  0.50000000  1
  Ca  Ca39  1  0.25000000  0.50000000  0.75000000  1
  Ca  Ca40  1  0.50000000  0.25000000  0.75000000  1
  Ca  Ca41  1  0.75000000  0.25000000  0.50000000  1
  Ca  Ca42  1  0.00000000  0.50000000  0.50000000  1
  Ca  Ca43  1  0.50000000  0.00000000  0.50000000  1
  Ca  Ca44  1  0.50000000  0.50000000  0.00000000  1
  Ca  Ca45  1  0.00000000  0.00000000  0.00000000  1
  Hg  Hg46  1  0.41338023  0.70669011  0.70669011  1
  Hg  Hg47  1  0.70669011  0.00000000  0.29330989  1
  Hg  Hg48  1  0.70669011  0.29330989  0.00000000  1
  Hg  Hg49  1  0.00000000  0.70669011  0.29330989  1
  Hg  Hg50  1  0.70669011  0.41338023  0.70669011  1
  Hg  Hg51  1  0.29330989  0.70669011  0.00000000  1
  Hg  Hg52  1  0.00000000  0.29330989  0.70669011  1
  Hg  Hg53  1  0.29330989  0.00000000  0.70669011  1
  Hg  Hg54  1  0.70669011  0.70669011  0.41338023  1
  Hg  Hg55  1  0.58661977  0.29330989  0.29330989  1
  Hg  Hg56  1  0.29330989  0.58661977  0.29330989  1
  Hg  Hg57  1  0.29330989  0.29330989  0.58661977  1
  Hg  Hg58  1  0.00000000  0.24371299  0.24371299  1
  Hg  Hg59  1  0.75628701  0.00000000  0.75628701  1
  Hg  Hg60  1  0.75628701  0.75628701  0.00000000  1
  Hg  Hg61  1  0.00000000  0.75628701  0.75628701  1
  Hg  Hg62  1  0.24371299  0.00000000  0.24371299  1
  Hg  Hg63  1  0.24371299  0.24371299  0.00000000  1
