data_[Na3Sr3Ca6Au12]
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
  Ca  1.0000  1.8000  1.1400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.1854]
_cell_length_b [5.1854]
_cell_length_c [25.7195]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [NaSr(CaAu2)2]
_chemical_formula_sum '[Na3 Sr3 Ca6 Au12]'
_cell_volume [598.8938]
_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  3  -0.0000  -0.0000  0.5000  1
  Sr  Sr1  3  0.0000  0.0000  0.0000  1
  Ca  Ca2  6  0.0000  0.0000  0.2431  1
  Au  Au3  6  0.0000  0.0000  0.1236  1
  Au  Au4  6  0.0000  0.0000  0.3790  1
]