data_[Mg2Cd6Hg2]
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 [P2_1/m]
_cell_length_a [5.2456]
_cell_length_b [6.7382]
_cell_length_c [7.1537]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7376]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [MgCd3Hg]
_chemical_formula_sum '[Mg2 Cd6 Hg2]'
_cell_volume [236.4729]
_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  0.0079  0.7500  0.0045  1.0
  Cd  Cd1  4  0.1855  0.0048  0.3748  1.0
  Cd  Cd2  2  0.3817  0.7500  0.7592  1.0
  Hg  Hg3  2  0.3895  0.2500  0.7891  1.0
]