data_[Mg16Pd4Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Pd  2.2000  1.4000  0.8462
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.1972]
_cell_length_b [12.4137]
_cell_length_c [5.6535]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5311]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mg4PdPb]
_chemical_formula_sum '[Mg16 Pd4 Pb4]'
_cell_volume [542.1872]
_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
[
  Mg  Mg0  8  0.1069  0.1736  0.0572  1.0
  Mg  Mg1  8  0.2257  0.4126  0.3650  1.0
  Pd  Pd2  4  0.0000  0.0014  0.2500  1.0
  Pb  Pb3  4  0.0000  0.3824  0.7500  1.0
]