# generated using pymatgen
data_Ba4Si6AgHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.60095559
_cell_length_b   11.03621334
_cell_length_c   8.59979198
_cell_angle_alpha   78.76888260
_cell_angle_beta   59.21020627
_cell_angle_gamma   42.02091187
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba4Si6AgHg
_chemical_formula_sum   'Ba8 Si12 Ag2 Hg2'
_cell_volume   650.95789339
_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
  Ba  Ba0  1  0.12787247  0.12108729  0.87405036  1.0
  Ba  Ba1  1  0.87405136  0.87698989  0.12787147  1.0
  Ba  Ba2  1  0.12891371  0.12212853  0.37301011  1.0
  Ba  Ba3  1  0.37301111  0.37594964  0.12891271  1.0
  Ba  Ba4  1  0.62199589  0.62409455  0.37673395  1.0
  Ba  Ba5  1  0.37673395  0.37717560  0.62199589  1.0
  Ba  Ba6  1  0.62590645  0.62800411  0.87282440  1.0
  Ba  Ba7  1  0.87282540  0.87326705  0.62590545  1.0
  Si  Si8  1  0.90915722  0.59437024  0.43315786  1.0
  Si  Si9  1  0.07151488  0.42202250  0.59100757  1.0
  Si  Si10  1  0.43315786  0.06331569  0.90915722  1.0
  Si  Si11  1  0.59100757  0.91545505  0.07151488  1.0
  Si  Si12  1  0.33454495  0.65899243  0.82797750  1.0
  Si  Si13  1  0.65562976  0.34084278  0.18668431  1.0
  Si  Si14  1  0.82797750  0.17848512  0.33454495  1.0
  Si  Si15  1  0.18668431  0.81684214  0.65562976  1.0
  Si  Si16  1  0.90761647  0.59238453  0.90761547  1.0
  Si  Si17  1  0.58721547  0.91278553  0.58721447  1.0
  Si  Si18  1  0.33721547  0.66278553  0.33721547  1.0
  Si  Si19  1  0.65761547  0.34238453  0.65761547  1.0
  Ag  Ag20  1  0.16693122  0.83306878  0.16693122  1.0
  Ag  Ag21  1  0.41693122  0.08306878  0.41693122  1.0
  Hg  Hg22  1  0.08274763  0.41725237  0.08274763  1.0
  Hg  Hg23  1  0.83274763  0.16725237  0.83274763  1.0