data_[Mg4Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.0946]
_cell_length_b [3.6399]
_cell_length_c [7.2166]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6241]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MgHg2]
_chemical_formula_sum '[Mg4 Hg8]'
_cell_volume [286.4345]
_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
[
  Mg  Mg0  2  0.0316  0.0000  0.5846  1.0
  Mg  Mg1  2  0.2356  0.5000  0.9566  1.0
  Hg  Hg2  2  0.0264  0.0000  0.9902  1.0
  Hg  Hg3  2  0.1645  0.5000  0.3592  1.0
  Hg  Hg4  2  0.3276  0.0000  0.6872  1.0
  Hg  Hg5  2  0.3809  0.0000  0.2555  1.0
]