data_[Mg4Cd8Sn4Hg20]
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 [Cmc2_1]
_cell_length_a [4.2879]
_cell_length_b [17.0608]
_cell_length_c [12.5135]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [MgCd2SnHg5]
_chemical_formula_sum '[Mg4 Cd8 Sn4 Hg20]'
_cell_volume [915.4277]
_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  0.0000  0.4834  0.4295  1.0
  Cd  Cd1  4  0.0000  0.0892  0.7770  1.0
  Cd  Cd2  4  0.0000  0.1307  0.3070  1.0
  Sn  Sn3  4  0.0000  0.1337  0.0511  1.0
  Hg  Hg4  4  0.0000  0.0624  0.5411  1.0
  Hg  Hg5  4  0.0000  0.2507  0.6709  1.0
  Hg  Hg6  4  0.0000  0.3034  0.3687  1.0
  Hg  Hg7  4  0.0000  0.3139  0.9793  1.0
  Hg  Hg8  4  0.0000  0.4712  0.6993  1.0
]