data_[Mg2Cd4Ga2Hg4]
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
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.5931]
_cell_length_b [9.5923]
_cell_length_c [6.0203]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [MgCd2GaHg2]
_chemical_formula_sum '[Mg2 Cd4 Ga2 Hg4]'
_cell_volume [265.2431]
_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  0.5000  0.3361  0.1544  1
  Cd  Cd1  2  0.0000  0.1709  0.8649  1
  Cd  Cd2  2  0.5000  0.0070  0.6048  1
  Ga  Ga3  2  0.0000  0.4992  0.4049  1
  Hg  Hg4  2  0.0000  0.1729  0.3576  1
  Hg  Hg5  2  0.5000  0.3524  0.6590  1
]