data_[Pa4Fe8Ge16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Fe  1.8300  1.4000  0.8525
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [16.7349]
_cell_length_b [4.1286]
_cell_length_c [6.4194]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Pa(FeGe2)2]
_chemical_formula_sum '[Pa4 Fe8 Ge16]'
_cell_volume [443.5294]
_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
[
  Pa  Pa0  4  0.1384  0.7500  0.4986  1
  Fe  Fe1  4  0.0352  0.2500  0.7446  1
  Fe  Fe2  4  0.2153  0.7500  0.0232  1
  Ge  Ge3  4  0.0299  0.2500  0.3528  1
  Ge  Ge4  4  0.0696  0.7500  0.9894  1
  Ge  Ge5  4  0.1823  0.2500  0.8098  1
  Ge  Ge6  4  0.1964  0.2500  0.2184  1
]