data_[Mg4Cd8In4Hg24]
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
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.8621]
_cell_length_b [11.7080]
_cell_length_c [10.7088]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8066]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [MgCd2InHg6]
_chemical_formula_sum '[Mg4 Cd8 In4 Hg24]'
_cell_volume [1045.3830]
_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  0.2759  0.2500  1.0
  Cd  Cd1  8  0.1569  0.3637  0.6525  1.0
  In  In2  4  0.0000  0.0083  0.2500  1.0
  Hg  Hg3  8  0.0278  0.1462  0.5085  1.0
  Hg  Hg4  8  0.1525  0.4902  0.3942  1.0
  Hg  Hg5  8  0.2422  0.3302  0.1291  1.0
]