data_[Mn12Cu8Pd28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [5.6877]
_cell_length_b [7.2893]
_cell_length_c [17.0497]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Mn3Cu2Pd7]
_chemical_formula_sum '[Mn12 Cu8 Pd28]'
_cell_volume [706.8700]
_cell_formula_units_Z [4]
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  0.1669  1
  Mn  Mn1  4  0.0000  0.0000  0.5000  1
  Cu  Cu2  8  0.0000  0.0000  0.3328  1
  Pd  Pd3  16  0.2500  0.2500  0.0860  1
  Pd  Pd4  8  0.2500  0.2500  0.2500  1
  Pd  Pd5  4  0.0000  0.0000  0.0000  1
]