data_[Mg24Zn8Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Zn  1.6500  1.3500  0.8800
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [6.1331]
_cell_length_b [8.8150]
_cell_length_c [15.8938]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Mg3ZnHg]
_chemical_formula_sum '[Mg24 Zn8 Hg8]'
_cell_volume [859.2717]
_cell_formula_units_Z [8]
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  16  0.0000  0.1812  0.0964  1
  Mg  Mg1  8  0.0000  0.0000  0.3279  1
  Zn  Zn2  8  0.2039  0.0000  0.5000  1
  Hg  Hg3  8  0.2500  0.2500  0.2500  1
]