data_[Sr6Ge16Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ge  2.0100  1.2500  0.7700
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.3603]
_cell_length_b [10.4984]
_cell_length_c [13.0981]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Sr3Ge8Pd3]
_chemical_formula_sum '[Sr6 Ge16 Pd6]'
_cell_volume [599.5787]
_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
[
  Sr  Sr0  4  0.0000  0.0000  0.1862  1
  Sr  Sr1  2  0.0000  0.0000  0.5000  1
  Ge  Ge2  8  0.0000  0.2897  0.3812  1
  Ge  Ge3  8  0.0000  0.3635  0.1627  1
  Pd  Pd4  4  0.0000  0.2202  0.0000  1
  Pd  Pd5  2  0.0000  0.5000  0.5000  1
]