data_[Na12Sr4Au8]
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 [18.3562]
_cell_length_b [4.3419]
_cell_length_c [10.4237]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.7350]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3SrAu2]
_chemical_formula_sum '[Na12 Sr4 Au8]'
_cell_volume [690.8957]
_cell_formula_units_Z [4]
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  0.0116  0.0000  0.6649  1.0
  Na  Na1  4  0.1625  0.5000  0.4764  1.0
  Na  Na2  4  0.1723  0.5000  0.8777  1.0
  Sr  Sr3  4  0.1283  0.0000  0.1338  1.0
  Au  Au4  4  0.0023  0.5000  0.8636  1.0
  Au  Au5  4  0.2133  0.0000  0.7217  1.0
]