data_[Mg2Fe8Hg4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  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 [Imm2]
_cell_length_a [6.2285]
_cell_length_b [6.4433]
_cell_length_c [9.5754]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [MgFe4(HgO4)2]
_chemical_formula_sum '[Mg2 Fe8 Hg4 O16]'
_cell_volume [384.2756]
_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
[
  Mg  Mg0  2  0.0000  0.5000  0.3999  1
  Fe  Fe1  4  0.0000  0.2407  0.0035  1
  Fe  Fe2  4  0.2205  0.0000  0.7035  1
  Hg  Hg3  2  0.0000  0.0000  0.3478  1
  Hg  Hg4  2  0.0000  0.5000  0.7007  1
  O  O5  4  0.0000  0.2000  0.7889  1
  O  O6  4  0.0000  0.2962  0.2234  1
  O  O7  4  0.2087  0.5000  0.9969  1
  O  O8  4  0.2257  0.0000  0.0077  1
]