data_[Mg16Pd4Pb2]
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/m]
_cell_length_a [8.1938]
_cell_length_b [12.1807]
_cell_length_c [5.0326]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6893]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg8Pd2Pb]
_chemical_formula_sum '[Mg16 Pd4 Pb2]'
_cell_volume [485.8688]
_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
[
  Mg  Mg0  8  0.1972  0.1320  0.0822  1.0
  Mg  Mg1  4  0.0000  0.2527  0.5000  1.0
  Mg  Mg2  4  0.1080  0.5000  0.2967  1.0
  Pd  Pd3  4  0.0000  0.3159  0.0000  1.0
  Pb  Pb4  2  0.0000  0.0000  0.5000  1.0
]