data_[Ni6Ge12Pd3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Ge  2.0100  1.2500  0.7700
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.8428]
_cell_length_b [3.8428]
_cell_length_c [25.6762]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ni2Ge4Pd]
_chemical_formula_sum '[Ni6 Ge12 Pd3]'
_cell_volume [328.3588]
_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
[
  Ni  Ni0  6  0.0000  0.0000  0.3990  1.0
  Ge  Ge1  6  0.0000  0.0000  0.1119  1.0
  Ge  Ge2  6  0.0000  0.0000  0.3022  1.0
  Pd  Pd3  3  -0.0000  -0.0000  0.5000  1.0
]