data_[Mg4Pd16Pt2]
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
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2229]
_cell_length_b [6.7665]
_cell_length_c [12.2979]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Mg2Pd8Pt]
_chemical_formula_sum '[Mg4 Pd16 Pt2]'
_cell_volume [351.4031]
_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  0.5000  0.1977  1
  Pd  Pd1  8  0.0000  0.2165  0.3495  1
  Pd  Pd2  4  0.0000  0.0000  0.1553  1
  Pd  Pd3  4  0.0000  0.2973  0.0000  1
  Pt  Pt4  2  0.0000  0.5000  0.5000  1
]