# generated using pymatgen
data_Ba6Li2Ag17Hg5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.97039945
_cell_length_b   9.97040005
_cell_length_c   8.38266584
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.78904527
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba6Li2Ag17Hg5
_chemical_formula_sum   'Ba6 Li2 Ag17 Hg5'
_cell_volume   723.19796793
_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
  Ba  Ba0  1  0.52176564  0.04107044  0.25000000  1.0
  Ba  Ba1  1  0.48233678  0.96003524  0.75000000  1.0
  Ba  Ba2  1  0.95892956  0.47823436  0.25000000  1.0
  Ba  Ba3  1  0.03996476  0.51766322  0.75000000  1.0
  Ba  Ba4  1  0.52107883  0.47892117  0.25000000  1.0
  Ba  Ba5  1  0.47877463  0.52122537  0.75000000  1.0
  Li  Li6  1  0.99865646  0.00134354  0.00142677  1.0
  Li  Li7  1  0.99865646  0.00134354  0.49857323  1.0
  Ag  Ag8  1  0.16197037  0.32443037  0.06415896  1.0
  Ag  Ag9  1  0.83249159  0.67203923  0.93999764  1.0
  Ag  Ag10  1  0.67556963  0.83802963  0.06415896  1.0
  Ag  Ag11  1  0.83249159  0.67203923  0.56000236  1.0
  Ag  Ag12  1  0.32796077  0.16750841  0.93999764  1.0
  Ag  Ag13  1  0.16197037  0.32443037  0.43584104  1.0
  Ag  Ag14  1  0.16238034  0.83761966  0.07100167  1.0
  Ag  Ag15  1  0.32796077  0.16750841  0.56000236  1.0
  Ag  Ag16  1  0.83807347  0.16192653  0.93615132  1.0
  Ag  Ag17  1  0.67556963  0.83802963  0.43584104  1.0
  Ag  Ag18  1  0.83807347  0.16192653  0.56384868  1.0
  Ag  Ag19  1  0.16238034  0.83761966  0.42899833  1.0
  Ag  Ag20  1  0.90013400  0.80212665  0.25000000  1.0
  Ag  Ag21  1  0.10010999  0.20071045  0.75000000  1.0
  Ag  Ag22  1  0.19787335  0.09986600  0.25000000  1.0
  Ag  Ag23  1  0.79928955  0.89989001  0.75000000  1.0
  Ag  Ag24  1  0.90012317  0.09987683  0.25000000  1.0
  Hg  Hg25  1  0.10370779  0.89629221  0.75000000  1.0
  Hg  Hg26  1  0.33352854  0.66647146  0.06074227  1.0
  Hg  Hg27  1  0.66732630  0.33267370  0.93883024  1.0
  Hg  Hg28  1  0.66732630  0.33267370  0.56116976  1.0
  Hg  Hg29  1  0.33352854  0.66647146  0.43925773  1.0