data_[Mg18Pd36Pt3]
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 [R-3]
_cell_length_a [11.7263]
_cell_length_b [11.7263]
_cell_length_c [8.0742]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Mg6Pd12Pt]
_chemical_formula_sum '[Mg18 Pd36 Pt3]'
_cell_volume [961.5017]
_cell_formula_units_Z [3]
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  18  0.0434  0.1948  0.7529  1
  Pd  Pd1  18  0.0415  0.2453  0.0747  1
  Pd  Pd2  18  0.0668  0.2417  0.4288  1
  Pt  Pt3  3  0.0000  0.0000  0.0000  1
]