data_[Cu8Ag4Hg4Br24]
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 [C2/c]
_cell_length_a [13.4215]
_cell_length_b [12.7664]
_cell_length_c [6.8934]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6989]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cu2AgHgBr6]
_chemical_formula_sum '[Cu8 Ag4 Hg4 Br24]'
_cell_volume [1137.0780]
_cell_formula_units_Z [4]
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  8  0.1935  0.4166  0.2993  1.0
  Ag  Ag1  4  0.0000  0.0906  0.2500  1.0
  Hg  Hg2  4  0.0000  0.2802  0.7500  1.0
  Br  Br3  8  0.1191  0.0874  0.6304  1.0
  Br  Br4  8  0.1248  0.2565  0.1178  1.0
  Br  Br5  8  0.1351  0.4269  0.6016  1.0
]