data_[Hg18O3F24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.7749]
_cell_length_b [6.7749]
_cell_length_c [17.9109]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Hg6OF8]
_chemical_formula_sum '[Hg18 O3 F24]'
_cell_volume [711.9655]
_cell_formula_units_Z [3]
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
[
  Hg  Hg0  18  0.0211  0.7104  0.0740  1.0
  O  O1  3  0.0000  0.0000  0.0000  1.0
  F  F2  18  0.0327  0.7351  0.2137  1.0
  F  F3  6  0.0000  0.0000  0.3517  1.0
]