data_[Cd26Hg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [6.9962]
_cell_length_b [10.4559]
_cell_length_c [10.4828]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Cd13Hg3]
_chemical_formula_sum '[Cd26 Hg6]'
_cell_volume [766.8364]
_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  0.2505  0.2497  0.2497  1.0
  Cd  Cd1  4  0.0000  0.2494  0.0012  1.0
  Cd  Cd2  4  0.2511  0.0000  0.5017  1.0
  Cd  Cd3  4  0.5000  0.2479  0.4995  1.0
  Cd  Cd4  2  0.0000  0.0000  0.7470  1.0
  Cd  Cd5  2  0.5000  0.0000  0.2505  1.0
  Cd  Cd6  2  0.5000  0.0000  0.7473  1.0
  Hg  Hg7  4  0.2517  0.0000  0.9975  1.0
  Hg  Hg8  2  0.0000  0.0000  0.2568  1.0
]