data_[Cd6In8Hg8]
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 [Amm2]
_cell_length_a [10.1488]
_cell_length_b [4.1623]
_cell_length_c [14.0979]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Cd3(InHg)4]
_chemical_formula_sum '[Cd6 In8 Hg8]'
_cell_volume [595.5253]
_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  0.2542  0.0000  0.4143  1.0
  Cd  Cd1  2  0.0000  0.0000  0.2605  1.0
  In  In2  4  0.2499  0.0000  0.0897  1.0
  In  In3  2  0.0000  0.0000  0.5917  1.0
  In  In4  2  0.5000  0.0000  0.5909  1.0
  Hg  Hg5  4  0.2746  0.0000  0.7569  1.0
  Hg  Hg6  2  0.0000  0.0000  0.9183  1.0
  Hg  Hg7  2  0.5000  0.0000  0.9154  1.0
]