data_[Pa4Al2Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Al  1.6100  1.2500  0.6750
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.6423]
_cell_length_b [4.6423]
_cell_length_c [14.7235]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Pa2AlGe4]
_chemical_formula_sum '[Pa4 Al2 Ge8]'
_cell_volume [317.2998]
_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  4  0.0000  0.0000  0.3687  1
  Al  Al1  2  0.0000  0.0000  0.0000  1
  Ge  Ge2  4  0.0000  0.0000  0.1758  1
  Ge  Ge3  4  0.0000  0.5000  0.0000  1
]