data_[Mg2Cd4In4Hg8]
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/m]
_cell_length_a [15.3244]
_cell_length_b [4.3718]
_cell_length_c [7.0650]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0153]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgCd2(InHg2)2]
_chemical_formula_sum '[Mg2 Cd4 In4 Hg8]'
_cell_volume [447.4931]
_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  0.1084  0.0000  0.6433  1.0
  In  In2  4  0.1649  0.5000  0.9938  1.0
  Hg  Hg3  4  0.0468  0.5000  0.3095  1.0
  Hg  Hg4  4  0.2212  0.0000  0.3292  1.0
]