data_[Cd4In2Ga4Hg4]
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 [10.3290]
_cell_length_b [4.4669]
_cell_length_c [8.6096]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.0138]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd2In(GaHg)2]
_chemical_formula_sum '[Cd4 In2 Ga4 Hg4]'
_cell_volume [350.6921]
_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  0.0011  0.5000  0.2326  1.0
  In  In1  2  0.0000  0.0000  0.5000  1.0
  Ga  Ga2  4  0.2492  0.5000  0.6163  1.0
  Hg  Hg3  4  0.2409  0.5000  0.1280  1.0
]