data_[Ca8Ge12Pd36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ge  2.0100  1.2500  0.7700
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.4612]
_cell_length_b [7.7367]
_cell_length_c [10.1825]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.0741]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ca2(GePd3)3]
_chemical_formula_sum '[Ca8 Ge12 Pd36]'
_cell_volume [952.5441]
_cell_formula_units_Z [4]
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
[
  Ca  Ca0  8  0.1699  0.4144  0.7495  1
  Ge  Ge1  8  0.0859  0.2585  0.9992  1
  Ge  Ge2  4  0.2500  0.2500  0.5000  1
  Pd  Pd3  8  0.0581  0.4256  0.4229  1
  Pd  Pd4  8  0.1001  0.0881  0.5433  1
  Pd  Pd5  8  0.1055  0.1857  0.2471  1
  Pd  Pd6  8  0.2287  0.0873  0.9257  1
  Pd  Pd7  4  0.0000  0.1292  0.7500  1
]