data_[Mg2Cd4Sn4Hg8]
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
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.5437]
_cell_length_b [3.4096]
_cell_length_c [7.1530]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7925]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgCd2(SnHg2)2]
_chemical_formula_sum '[Mg2 Cd4 Sn4 Hg8]'
_cell_volume [452.2119]
_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  0.0000  0.0000  1.0
  Cd  Cd1  4  0.1077  0.0000  0.3649  1.0
  Sn  Sn2  4  0.1555  0.5000  0.0150  1.0
  Hg  Hg3  4  0.0437  0.5000  0.6860  1.0
  Hg  Hg4  4  0.2221  0.0000  0.6723  1.0
]