data_[Cd24Hg4Au10]
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 [C2/m]
_cell_length_a [15.5233]
_cell_length_b [6.0775]
_cell_length_c [9.6855]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.2648]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd12Hg2Au5]
_chemical_formula_sum '[Cd24 Hg4 Au10]'
_cell_volume [901.8434]
_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  0.1458  0.2545  0.6263  1.0
  Cd  Cd1  8  0.1971  0.2500  0.1205  1.0
  Cd  Cd2  4  0.0193  0.5000  0.3242  1.0
  Cd  Cd3  4  0.1468  0.0000  0.3551  1.0
  Hg  Hg4  4  0.0000  0.2389  0.0000  1.0
  Au  Au5  4  0.1366  0.5000  0.8770  1.0
  Au  Au6  4  0.1981  0.5000  0.3818  1.0
  Au  Au7  2  0.0000  0.0000  0.5000  1.0
]