data_[Na12U9Au3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  U  1.3800  1.7500  0.9913
  Au  2.5400  1.3500  1.0700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.8701]
_cell_length_b [7.8701]
_cell_length_c [20.2535]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Na4U3AuS8]
_chemical_formula_sum '[Na12 U9 Au3 S24]'
_cell_volume [1086.4144]
_cell_formula_units_Z [3]
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  9  0.0000  0.5000  0.5000  1
  Na  Na1  3  -0.0000  -0.0000  0.5000  1
  U  U2  9  0.0000  0.5000  0.0000  1
  Au  Au3  3  -0.0000  -0.0000  0.0000  1
  S  S4  18  0.0086  0.5043  0.2573  1
  S  S5  6  0.0000  0.0000  0.2565  1
]