data_[Cu4Hg4F20]
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/c]
_cell_length_a [8.9575]
_cell_length_b [6.5424]
_cell_length_c [7.7480]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.2607]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CuHgF5]
_chemical_formula_sum '[Cu4 Hg4 F20]'
_cell_volume [410.6390]
_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  4  0.0000  0.0000  0.0000  1.0
  Hg  Hg1  4  0.0000  0.4551  0.2500  1.0
  F  F2  8  0.0216  0.2921  0.9821  1.0
  F  F3  8  0.2315  0.0338  0.6192  1.0
  F  F4  4  0.0000  0.0549  0.2500  1.0
]