data_[Mg4Cd4Hg16Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.3388]
_cell_length_b [6.1602]
_cell_length_c [7.2550]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5022]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgCdHg4Bi]
_chemical_formula_sum '[Mg4 Cd4 Hg16 Bi4]'
_cell_volume [767.6761]
_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  4  0.1947  0.0000  0.0097  1.0
  Cd  Cd1  4  0.0322  0.5000  0.2281  1.0
  Hg  Hg2  8  0.0929  0.2425  0.6551  1.0
  Hg  Hg3  4  0.1707  0.5000  0.0931  1.0
  Hg  Hg4  4  0.2283  0.5000  0.5470  1.0
  Bi  Bi5  4  0.0704  0.0000  0.1932  1.0
]