data_[Cd2In6Ga2Hg2]
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 [P2_1/m]
_cell_length_a [9.6277]
_cell_length_b [3.5923]
_cell_length_c [9.9021]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.5776]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CdIn3GaHg]
_chemical_formula_sum '[Cd2 In6 Ga2 Hg2]'
_cell_volume [303.5558]
_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  2  0.2932  0.2500  0.1165  1.0
  In  In1  2  0.0466  0.7500  0.8714  1.0
  In  In2  2  0.2096  0.7500  0.3734  1.0
  In  In3  2  0.4543  0.2500  0.6344  1.0
  Ga  Ga4  2  0.1123  0.2500  0.6091  1.0
  Hg  Hg5  2  0.3665  0.7500  0.8681  1.0
]