data_[Na6Mn12Al6Au36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mn  1.5500  1.4000  0.6483
  Al  1.6100  1.2500  0.6750
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.2884]
_cell_length_b [7.2884]
_cell_length_c [29.3948]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [NaMn2AlAu6]
_chemical_formula_sum '[Na6 Mn12 Al6 Au36]'
_cell_volume [1352.2940]
_cell_formula_units_Z [6]
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
  Na  Na1  3  0.0000  0.0000  0.0000  1
  Mn  Mn2  6  0.0000  0.0000  0.1517  1
  Mn  Mn3  6  0.0000  0.0000  0.3026  1
  Al  Al4  6  0.0000  0.0000  0.3954  1
  Au  Au5  18  0.0739  0.5369  0.7447  1
  Au  Au6  18  0.0758  0.5379  0.8925  1
]