data_[Pa2Ge2Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  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 [7.4581]
_cell_length_b [9.7339]
_cell_length_c [5.0727]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.6486]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PaGePd6]
_chemical_formula_sum '[Pa2 Ge2 Pd12]'
_cell_volume [295.4612]
_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
[
  Pa  Pa0  2  0.0000  0.0000  0.0000  1
  Ge  Ge1  2  0.0000  0.5000  0.5000  1
  Pd  Pd2  8  0.2342  0.2857  0.7364  1
  Pd  Pd3  4  0.2315  0.5000  0.2355  1
]