data_[Mn3Zn18Au36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Zn  1.6500  1.3500  0.8800
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.0691]
_cell_length_b [12.0691]
_cell_length_c [8.1660]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Mn(ZnAu2)6]
_chemical_formula_sum '[Mn3 Zn18 Au36]'
_cell_volume [1030.1221]
_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
[
  Mn  Mn0  3  0.0000  0.0000  0.0000  1.0
  Zn  Zn1  18  0.0532  0.8380  0.7449  1.0
  Au  Au2  18  0.0364  0.7995  0.0699  1.0
  Au  Au3  18  0.0625  0.8319  0.4177  1.0
]