data_[Cd4In2Ga6Hg12]
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 [8.5571]
_cell_length_b [11.9131]
_cell_length_c [6.1141]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1081]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd2In(GaHg2)3]
_chemical_formula_sum '[Cd4 In2 Ga6 Hg12]'
_cell_volume [592.4078]
_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  0.3402  0.0000  1
  In  In1  2  0.0000  0.0000  0.0000  1
  Ga  Ga2  4  0.0000  0.1703  0.5000  1
  Ga  Ga3  2  0.0000  0.5000  0.5000  1
  Hg  Hg4  8  0.2446  0.3298  0.7379  1
  Hg  Hg5  4  0.2405  0.0000  0.7183  1
]