data_[Cd4In4Ga4Hg16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7839]
_cell_length_b [6.4163]
_cell_length_c [10.5614]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1053]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CdInGaHg4]
_chemical_formula_sum '[Cd4 In4 Ga4 Hg16]'
_cell_volume [719.4342]
_cell_formula_units_Z [4]
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
[
  Cd  Cd0  4  0.0068  0.5000  0.6445  1.0
  In  In1  4  0.0426  0.0000  0.6617  1.0
  Ga  Ga2  4  0.1109  0.0000  0.9510  1.0
  Hg  Hg3  8  0.1783  0.2545  0.2010  1.0
  Hg  Hg4  4  0.1138  0.5000  0.9242  1.0
  Hg  Hg5  4  0.2475  0.0000  0.4749  1.0
]