data_[Fe2Hg4O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Hg  2.0000  1.5000  1.2450
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [6.2863]
_cell_length_b [4.4609]
_cell_length_c [8.4874]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.5779]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [Fe(HgO2)2]
_chemical_formula_sum '[Fe2 Hg4 O8]'
_cell_volume [237.7671]
_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
[
  Fe  Fe0  2  0.5000  0.4652  0.7500  1
  Hg  Hg1  4  0.1954  0.0535  0.9718  1
  O  O2  4  0.2817  0.3374  0.2434  1
  O  O3  4  0.4954  0.2404  0.5915  1
]