data_[Mg16Sn2Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.6500]
_cell_length_b [14.2830]
_cell_length_c [6.7884]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Mg8SnPd2]
_chemical_formula_sum '[Mg16 Sn2 Pd4]'
_cell_volume [450.8552]
_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  4  0.0000  0.1190  0.7938  1
  Mg  Mg1  4  0.0000  0.2915  0.4912  1
  Mg  Mg2  4  0.0000  0.3324  0.9313  1
  Mg  Mg3  2  0.0000  0.0000  0.3948  1
  Mg  Mg4  2  0.0000  0.5000  0.6146  1
  Sn  Sn5  2  0.0000  0.5000  0.1878  1
  Pd  Pd6  4  0.0000  0.1604  0.1848  1
]