data_[Pa8Ge16Pd8]
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 [Immm]
_cell_length_a [4.3594]
_cell_length_b [8.5978]
_cell_length_c [16.7937]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [PaGe2Pd]
_chemical_formula_sum '[Pa8 Ge16 Pd8]'
_cell_volume [629.4535]
_cell_formula_units_Z [8]
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  4  0.0000  0.0000  0.2998  1
  Pa  Pa1  4  0.0000  0.2438  0.5000  1
  Ge  Ge2  8  0.0000  0.3518  0.6964  1
  Ge  Ge3  4  0.0000  0.0000  0.0720  1
  Ge  Ge4  4  0.0000  0.5000  0.0722  1
  Pd  Pd5  8  0.0000  0.2505  0.1498  1
]