data_[Mg2Cd4Hg2]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.8292]
_cell_length_b [3.6282]
_cell_length_c [5.2731]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.9498]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MgCd2Hg]
_chemical_formula_sum '[Mg2 Cd4 Hg2]'
_cell_volume [183.9779]
_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  0.2476  0.0000  0.7369  1.0
  Cd  Cd1  2  0.2499  0.5000  0.2391  1.0
  Cd  Cd2  2  0.4995  0.5000  0.0062  1.0
  Hg  Hg3  2  0.0031  0.5000  0.5178  1.0
]