data_[Mn4Pd12Pb4]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.3059]
_cell_length_b [4.2078]
_cell_length_c [5.7389]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.2618]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MnPd3Pb]
_chemical_formula_sum '[Mn4 Pd12 Pb4]'
_cell_volume [345.1933]
_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  0.2018  0.0000  0.8578  1.0
  Pd  Pd1  4  0.0108  0.0000  0.7603  1.0
  Pd  Pd2  4  0.1072  0.5000  0.0441  1.0
  Pd  Pd3  4  0.2017  0.0000  0.3236  1.0
  Pb  Pb4  4  0.1077  0.5000  0.5401  1.0
]