data_[Cd40In4Hg8]
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
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [6.3578]
_cell_length_b [14.1605]
_cell_length_c [14.3510]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Cd10InHg2]
_chemical_formula_sum '[Cd40 In4 Hg8]'
_cell_volume [1292.0280]
_cell_formula_units_Z [4]
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  16  0.0000  0.1077  0.3922  1.0
  Cd  Cd1  16  0.0000  0.1757  0.1747  1.0
  Cd  Cd2  8  0.2500  0.2500  0.0000  1.0
  In  In3  4  0.0000  0.0000  0.0000  1.0
  Hg  Hg4  8  0.2500  0.0000  0.2500  1.0
]