data_[Pa12Ni12Ge16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Ni  1.9100  1.3500  0.7400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [9.0077]
_cell_length_b [9.0077]
_cell_length_c [9.0077]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [220]
_chemical_formula_structural [Pa3Ni3Ge4]
_chemical_formula_sum '[Pa12 Ni12 Ge16]'
_cell_volume [730.8647]
_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  12  0.0000  0.2500  0.3750  1
  Ni  Ni1  12  0.0000  0.2500  0.8750  1
  Ge  Ge2  16  0.0824  0.0824  0.0824  1
]