data_[Mg1Cd2Hg1]
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/m]
_cell_length_a [3.2320]
_cell_length_b [5.5286]
_cell_length_c [5.1801]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.1125]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [MgCd2Hg]
_chemical_formula_sum '[Mg1 Cd2 Hg1]'
_cell_volume [92.3213]
_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  0.5000  0.5000  0.5000  1.0
  Cd  Cd1  2  0.2364  0.0000  0.2529  1.0
  Hg  Hg2  1  0.0000  0.5000  0.0000  1.0
]