data_[Na6U4Au2S12]
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 [C2/m]
_cell_length_a [17.7387]
_cell_length_b [3.9663]
_cell_length_c [7.9978]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1835]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3U2AuS6]
_chemical_formula_sum '[Na6 U4 Au2 S12]'
_cell_volume [534.6000]
_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
[
  Na  Na0  4  0.1598  0.0000  0.8208  1
  Na  Na1  2  0.0000  0.5000  0.5000  1
  U  U2  4  0.1586  0.0000  0.3080  1
  Au  Au3  2  0.0000  0.5000  0.0000  1
  S  S4  4  0.0059  0.0000  0.2401  1
  S  S5  4  0.1722  0.5000  0.0925  1
  S  S6  4  0.1750  0.5000  0.5563  1
]