data_[Mg2Pd16Pb4]
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 [14.7830]
_cell_length_b [4.1849]
_cell_length_c [6.5142]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0532]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg(Pd4Pb)2]
_chemical_formula_sum '[Mg2 Pd16 Pb4]'
_cell_volume [380.9214]
_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  2  0.0000  0.5000  0.0000  1.0
  Pd  Pd1  4  0.0359  0.0000  0.7310  1.0
  Pd  Pd2  4  0.0873  0.5000  0.4528  1.0
  Pd  Pd3  4  0.1400  0.0000  0.1933  1.0
  Pd  Pd4  4  0.1711  0.5000  0.9153  1.0
  Pb  Pb5  4  0.2136  0.0000  0.6633  1.0
]