data_[Ge4P2Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  P  2.1900  1.0000  0.5500
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.9966]
_cell_length_b [4.1634]
_cell_length_c [5.6398]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4447]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ge2PPd8]
_chemical_formula_sum '[Ge4 P2 Pd16]'
_cell_volume [335.9329]
_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
[
  Ge  Ge0  4  0.1806  0.0000  0.7072  1.0
  P  P1  2  0.0000  0.5000  0.0000  1.0
  Pd  Pd2  4  0.0254  0.0000  0.7830  1.0
  Pd  Pd3  4  0.0929  0.5000  0.4299  1.0
  Pd  Pd4  4  0.1566  0.5000  0.9642  1.0
  Pd  Pd5  4  0.2083  0.0000  0.3044  1.0
]