data_[Cd1In6Ga1Hg2]
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 [P1]
_cell_length_a [6.0639]
_cell_length_b [6.5261]
_cell_length_c [6.7694]
_cell_angle_alpha [90.8122]
_cell_angle_beta [94.0463]
_cell_angle_gamma [98.1251]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CdIn6GaHg2]
_chemical_formula_sum '[Cd1 In6 Ga1 Hg2]'
_cell_volume [264.4617]
_cell_formula_units_Z [1]
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  1  0.2609  0.8216  0.8148  1.0
  In  In1  1  0.0478  0.5765  0.1844  1.0
  In  In2  1  0.2182  0.0334  0.4070  1.0
  In  In3  1  0.4673  0.2937  0.9377  1.0
  In  In4  1  0.6016  0.7643  0.1541  1.0
  In  In5  1  0.7399  0.8957  0.6375  1.0
  In  In6  1  0.9190  0.4481  0.6768  1.0
  Ga  Ga7  1  0.7011  0.2164  0.3289  1.0
  Hg  Hg8  1  0.4044  0.4917  0.5141  1.0
  Hg  Hg9  1  0.9782  0.1200  0.0064  1.0
]