data_[Cd14Hg2Au10]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [5.7432]
_cell_length_b [9.9024]
_cell_length_c [9.8916]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Cd7HgAu5]
_chemical_formula_sum '[Cd14 Hg2 Au10]'
_cell_volume [562.5440]
_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  0.0000  0.3204  0.9999  1.0
  Cd  Cd1  4  0.0000  0.3335  0.4902  1.0
  Cd  Cd2  2  0.0000  0.0000  0.3543  1.0
  Cd  Cd3  2  0.0000  0.0000  0.6835  1.0
  Cd  Cd4  2  0.0000  0.5000  0.7447  1.0
  Hg  Hg5  2  0.0000  0.0000  0.0120  1.0
  Au  Au6  8  0.2499  0.2461  0.2482  1.0
  Au  Au7  2  0.0000  0.5000  0.2323  1.0
]