data_[Cu6Hg2F16]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.7768]
_cell_length_b [5.8538]
_cell_length_c [6.5494]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.4616]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cu3HgF8]
_chemical_formula_sum '[Cu6 Hg2 F16]'
_cell_volume [396.9364]
_cell_formula_units_Z [2]
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  4  0.2500  0.2500  0.0000  1
  Cu  Cu1  2  0.0000  0.5000  0.0000  1
  Hg  Hg2  2  0.0000  0.5000  0.5000  1
  F  F3  8  0.0217  0.2767  0.8058  1
  F  F4  4  0.2390  0.5000  0.7913  1
  F  F5  4  0.2472  0.5000  0.1908  1
]