data_[Mn8Pd32Pt16]
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
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [7.6757]
_cell_length_b [17.0166]
_cell_length_c [6.7585]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [Mn(Pd2Pt)2]
_chemical_formula_sum '[Mn8 Pd32 Pt16]'
_cell_volume [882.7565]
_cell_formula_units_Z [8]
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  8  0.0000  0.0000  0.6483  1
  Pd  Pd1  16  0.0388  0.4189  0.7968  1
  Pd  Pd2  16  0.0509  0.1267  0.9016  1
  Pt  Pt3  16  0.0499  0.2359  0.2241  1
]