data_[Cd10In2Hg16]
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 [I-4]
_cell_length_a [9.0105]
_cell_length_b [9.0105]
_cell_length_c [9.0321]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Cd5InHg8]
_chemical_formula_sum '[Cd10 In2 Hg16]'
_cell_volume [733.3049]
_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  8  0.1286  0.7527  0.8808  1.0
  Cd  Cd1  2  0.0000  0.0000  0.5000  1.0
  In  In2  2  0.0000  0.5000  0.2500  1.0
  Hg  Hg3  8  0.0793  0.6706  0.5538  1.0
  Hg  Hg4  8  0.0807  0.8340  0.2067  1.0
]