data_[Ni3Ag6Hg3Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  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 [R3]
_cell_length_a [6.7337]
_cell_length_b [6.7337]
_cell_length_c [17.5006]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [NiAg2HgCl6]
_chemical_formula_sum '[Ni3 Ag6 Hg3 Cl18]'
_cell_volume [687.2084]
_cell_formula_units_Z [3]
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
[
  Ni  Ni0  3  0.0000  0.0000  0.6790  1.0
  Ag  Ag1  3  0.0000  0.0000  0.4547  1.0
  Ag  Ag2  3  0.0000  0.0000  0.9711  1.0
  Hg  Hg3  3  0.0000  0.0000  0.1861  1.0
  Cl  Cl4  9  0.0174  0.3841  0.4207  1.0
  Cl  Cl5  9  0.0550  0.6852  0.2618  1.0
]