data_[Zr4Pd16Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  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 [14.6559]
_cell_length_b [4.1040]
_cell_length_c [6.5873]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1436]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr2Pd8Pb]
_chemical_formula_sum '[Zr4 Pd16 Pb2]'
_cell_volume [380.5890]
_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
[
  Zr  Zr0  4  0.2175  0.0000  0.6636  1
  Pd  Pd1  4  0.0418  0.0000  0.7228  1
  Pd  Pd2  4  0.0959  0.5000  0.4596  1
  Pd  Pd3  4  0.1500  0.0000  0.2064  1
  Pd  Pd4  4  0.1792  0.5000  0.9121  1
  Pb  Pb5  2  0.0000  0.5000  0.0000  1
]