data_[Cu1Ag2Hg1Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  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 [6.6469]
_cell_length_b [6.8209]
_cell_length_c [7.0456]
_cell_angle_alpha [71.1557]
_cell_angle_beta [68.9200]
_cell_angle_gamma [65.9581]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CuAg2HgCl6]
_chemical_formula_sum '[Cu1 Ag2 Hg1 Cl6]'
_cell_volume [266.2979]
_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
[
  Cu  Cu0  1  0.3195  0.0359  0.3196  1.0
  Ag  Ag1  1  0.5783  0.4145  0.4704  1.0
  Ag  Ag2  1  0.9755  0.8697  0.1175  1.0
  Hg  Hg3  1  0.8369  0.5280  0.8264  1.0
  Cl  Cl4  1  0.0501  0.7563  0.7697  1.0
  Cl  Cl5  1  0.2579  0.2817  0.5059  1.0
  Cl  Cl6  1  0.3918  0.7966  0.1202  1.0
  Cl  Cl7  1  0.6305  0.2973  0.8709  1.0
  Cl  Cl8  1  0.6448  0.8001  0.4306  1.0
  Cl  Cl9  1  0.9764  0.2351  0.2304  1.0
]