data_[Ge6Pd18Pt3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  Pd  2.2000  1.4000  0.8462
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.3923]
_cell_length_b [4.3923]
_cell_length_c [25.7067]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ge2Pd6Pt]
_chemical_formula_sum '[Ge6 Pd18 Pt3]'
_cell_volume [429.5042]
_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
[
  Ge  Ge0  6  0.0000  0.0000  0.0989  1.0
  Pd  Pd1  6  0.0000  0.0000  0.1948  1.0
  Pd  Pd2  6  0.0000  0.0000  0.3017  1.0
  Pd  Pd3  6  0.0000  0.0000  0.4157  1.0
  Pt  Pt4  3  0.0000  0.0000  0.0000  1.0
]