data_[Ba1Ag1Hg1Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.1375]
_cell_length_b [6.7660]
_cell_length_c [7.3485]
_cell_angle_alpha [90.4390]
_cell_angle_beta [110.4746]
_cell_angle_gamma [98.6346]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [BaAgHgCl6]
_chemical_formula_sum '[Ba1 Ag1 Hg1 Cl6]'
_cell_volume [282.0408]
_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  0.0538  0.0288  0.9953  1.0
  Ag  Ag1  1  0.3338  0.5111  0.6778  1.0
  Hg  Hg2  1  0.6773  0.4979  0.2929  1.0
  Cl  Cl3  1  0.0136  0.7581  0.3400  1.0
  Cl  Cl4  1  0.3236  0.6652  0.9828  1.0
  Cl  Cl5  1  0.3548  0.3062  0.3906  1.0
  Cl  Cl6  1  0.6054  0.2062  0.0232  1.0
  Cl  Cl7  1  0.6646  0.7520  0.6663  1.0
  Cl  Cl8  1  0.9731  0.2746  0.6313  1.0
]