data_[Mn4Fe4Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Fe  1.8300  1.4000  0.8525
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.5075]
_cell_length_b [4.0472]
_cell_length_c [5.4697]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.7196]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MnFePd3]
_chemical_formula_sum '[Mn4 Fe4 Pd12]'
_cell_volume [297.5217]
_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  4  0.1969  0.0000  0.8362  1.0
  Fe  Fe1  4  0.0920  0.5000  0.5171  1.0
  Pd  Pd2  4  0.0022  0.0000  0.7454  1.0
  Pd  Pd3  4  0.1072  0.5000  0.0306  1.0
  Pd  Pd4  4  0.2054  0.0000  0.3446  1.0
]