data_[Na6Zr4Au2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Zr  1.3300  1.5500  0.8600
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.3319]
_cell_length_b [3.9293]
_cell_length_c [8.2780]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.9908]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3Zr2AuSe6]
_chemical_formula_sum '[Na6 Zr4 Au2 Se12]'
_cell_volume [585.3458]
_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  0.1451  0.0000  0.8421  1.0
  Na  Na1  2  0.0000  0.5000  0.5000  1.0
  Zr  Zr2  4  0.1688  0.0000  0.3262  1.0
  Au  Au3  2  0.0000  0.5000  0.0000  1.0
  Se  Se4  4  0.0229  0.0000  0.2311  1.0
  Se  Se5  4  0.1704  0.5000  0.5648  1.0
  Se  Se6  4  0.1900  0.5000  0.1226  1.0
]