data_[Mn4Pd16Pb2]
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 [14.2614]
_cell_length_b [4.0733]
_cell_length_c [6.3086]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3699]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn2Pd8Pb]
_chemical_formula_sum '[Mn4 Pd16 Pb2]'
_cell_volume [353.3654]
_cell_formula_units_Z [2]
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  0.2237  0.0000  0.6515  1.0
  Pd  Pd1  4  0.0446  0.0000  0.7236  1.0
  Pd  Pd2  4  0.0989  0.5000  0.4673  1.0
  Pd  Pd3  4  0.1487  0.0000  0.2087  1.0
  Pd  Pd4  4  0.1820  0.5000  0.9167  1.0
  Pb  Pb5  2  0.0000  0.5000  0.0000  1.0
]