data_[Mn18Pd3Au36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.4785]
_cell_length_b [10.4785]
_cell_length_c [9.8354]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Mn6PdAu12]
_chemical_formula_sum '[Mn18 Pd3 Au36]'
_cell_volume [935.2358]
_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  18  0.0211  0.8122  0.5098  1
  Pd  Pd1  3  0.0000  0.0000  0.0000  1
  Au  Au2  18  0.0321  0.5732  0.6337  1
  Au  Au3  18  0.0790  0.1869  0.2480  1
]