data_[Cu1Ag1Hg2Br6]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [7.1747]
_cell_length_b [7.1747]
_cell_length_c [18.4397]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [149]
_chemical_formula_structural [CuAg(HgBr3)2]
_chemical_formula_sum '[Cu1 Ag1 Hg2 Br6]'
_cell_volume [822.0494]
_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  0.3333  0.6667  0.5000  1
  Ag  Ag1  1  0.0000  0.0000  0.5000  1
  Hg  Hg2  2  0.6667  0.3333  0.5933  1
  Br  Br3  6  0.0427  0.3584  0.5875  1
]