data_[Cd4In6Ga2Hg12]
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 [6.9777]
_cell_length_b [14.8532]
_cell_length_c [7.1407]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.0041]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd2In3GaHg6]
_chemical_formula_sum '[Cd4 In6 Ga2 Hg12]'
_cell_volume [647.2587]
_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
[
  Cd  Cd0  4  0.0000  0.3342  0.0000  1.0
  In  In1  4  0.0000  0.1768  0.5000  1.0
  In  In2  2  0.0000  0.5000  0.5000  1.0
  Ga  Ga3  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg4  8  0.2356  0.8398  0.2308  1.0
  Hg  Hg5  4  0.2364  0.0000  0.7526  1.0
]