data_[Mg1Cd1Hg4]
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 [5.2714]
_cell_length_b [4.2543]
_cell_length_c [7.2502]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.0638]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [MgCdHg4]
_chemical_formula_sum '[Mg1 Cd1 Hg4]'
_cell_volume [160.5632]
_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  0.5000  1.0
  Cd  Cd1  1  0.5000  0.5000  0.0000  1.0
  Hg  Hg2  2  0.0207  0.5000  0.2285  1.0
  Hg  Hg3  2  0.4769  0.0000  0.2866  1.0
]