data_[Na4Sr16Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sr  0.9500  2.0000  1.3200
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [21.4942]
_cell_length_b [6.3726]
_cell_length_c [7.9569]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0112]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Sr8Au]
_chemical_formula_sum '[Na4 Sr16 Au2]'
_cell_volume [1024.0857]
_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  0.1817  0.0000  0.7296  1.0
  Sr  Sr1  4  0.0160  0.0000  0.7864  1.0
  Sr  Sr2  4  0.0881  0.5000  0.4092  1.0
  Sr  Sr3  4  0.1385  0.5000  0.9557  1.0
  Sr  Sr4  4  0.2048  0.0000  0.2931  1.0
  Au  Au5  2  0.0000  0.5000  0.0000  1.0
]