data_[Zr8Ge8Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ge  2.0100  1.2500  0.7700
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.4606]
_cell_length_b [4.0569]
_cell_length_c [9.7514]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.6381]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr2Ge2Pd]
_chemical_formula_sum '[Zr8 Ge8 Pd4]'
_cell_volume [366.6011]
_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
[
  Zr  Zr0  4  0.0085  0.0000  0.6816  1.0
  Zr  Zr1  4  0.1892  0.0000  0.1014  1.0
  Ge  Ge2  4  0.0317  0.5000  0.8873  1.0
  Ge  Ge3  4  0.1349  0.5000  0.5711  1.0
  Pd  Pd4  4  0.2141  0.5000  0.3553  1.0
]