data_[Mg1Cd7Hg3]
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 [P3m1]
_cell_length_a [6.4422]
_cell_length_b [6.4422]
_cell_length_c [7.5043]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [MgCd7Hg3]
_chemical_formula_sum '[Mg1 Cd7 Hg3]'
_cell_volume [269.7197]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.4529  1.0
  Cd  Cd1  3  0.0100  0.5050  0.4568  1.0
  Cd  Cd2  3  0.1688  0.3377  0.1104  1.0
  Cd  Cd3  1  0.6667  0.3333  0.1227  1.0
  Hg  Hg4  3  0.3323  0.1661  0.7794  1.0
]