data_[Na14Au2Se9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [8.3404]
_cell_length_b [8.3404]
_cell_length_c [11.4886]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Na14Au2Se9]
_chemical_formula_sum '[Na14 Au2 Se9]'
_cell_volume [692.1097]
_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  6  0.0123  0.6670  0.9087  1
  Na  Na1  6  0.0488  0.3745  0.5979  1
  Na  Na2  2  0.0000  0.0000  0.2527  1
  Au  Au3  2  0.3333  0.6667  0.2529  1
  Se  Se4  6  0.0472  0.3497  0.3402  1
  Se  Se5  2  0.3333  0.6667  0.0207  1
  Se  Se6  1  0.0000  0.0000  0.0000  1
]