data_[Na7Cd1Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Cd  1.6900  1.5500  1.0900
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.1539]
_cell_length_b [5.1539]
_cell_length_c [12.7678]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Na7CdAu2]
_chemical_formula_sum '[Na7 Cd1 Au2]'
_cell_volume [293.7113]
_cell_formula_units_Z [1]
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
[
  Na  Na0  1  0.0000  0.0000  0.2779  1.0
  Na  Na1  1  0.0000  0.0000  0.7146  1.0
  Na  Na2  1  0.3333  0.6667  0.0564  1.0
  Na  Na3  1  0.3333  0.6667  0.5559  1.0
  Na  Na4  1  0.6667  0.3333  0.1589  1.0
  Na  Na5  1  0.6667  0.3333  0.4126  1.0
  Na  Na6  1  0.6667  0.3333  0.8736  1.0
  Cd  Cd7  1  0.0000  0.0000  0.9898  1.0
  Au  Au8  1  0.3333  0.6667  0.3018  1.0
  Au  Au9  1  0.6667  0.3333  0.6420  1.0
]