data_[Mg24Hg8Bi8]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [4.9489]
_cell_length_b [13.6759]
_cell_length_c [15.5611]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Mg3HgBi]
_chemical_formula_sum '[Mg24 Hg8 Bi8]'
_cell_volume [1053.1831]
_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  8  0.0000  0.1268  0.8518  1
  Mg  Mg1  8  0.0000  0.1335  0.5030  1
  Mg  Mg2  8  0.0000  0.1371  0.1667  1
  Hg  Hg3  4  0.0000  0.2500  0.0090  1
  Hg  Hg4  4  0.0000  0.2500  0.6816  1
  Bi  Bi5  8  0.0000  0.0098  0.3453  1
]