data_[Mn18Ag3Pd36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Ag  1.9300  1.6000  1.0867
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.0794]
_cell_length_b [10.0794]
_cell_length_c [9.5832]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Mn6AgPd12]
_chemical_formula_sum '[Mn18 Ag3 Pd36]'
_cell_volume [843.1599]
_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  0.0249  0.2163  0.5089  1
  Ag  Ag1  3  0.0000  0.0000  0.0000  1
  Pd  Pd2  18  0.0258  0.4619  0.6323  1
  Pd  Pd3  18  0.0713  0.8844  0.2520  1
]