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 [Pm]
_cell_length_a [3.2288]
_cell_length_b [4.6825]
_cell_length_c [6.1494]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.5662]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [MgCd2Hg]
_chemical_formula_sum '[Mg1 Cd2 Hg1]'
_cell_volume [91.6790]
_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  0.6239  0.5000  0.2925  1.0
  Cd  Cd1  1  0.3333  0.5000  0.7808  1.0
  Cd  Cd2  1  0.8778  0.0000  0.9675  1.0
  Hg  Hg3  1  0.1650  0.0000  0.4591  1.0
]