data_[Cu8Hg12O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Hg  2.0000  1.5000  1.2450
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.3965]
_cell_length_b [9.4258]
_cell_length_c [7.0124]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.4308]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cu2Hg3O4]
_chemical_formula_sum '[Cu8 Hg12 O16]'
_cell_volume [619.2243]
_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  0.1811  0.3918  0.9812  1
  Hg  Hg1  8  0.0886  0.1511  0.5369  1
  Hg  Hg2  4  0.0000  0.4726  0.2500  1
  O  O3  8  0.1233  0.2033  0.9436  1
  O  O4  8  0.2042  0.4118  0.4980  1
]