data_[Pa8Nb4Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Nb  1.6000  1.4500  0.8200
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.7271]
_cell_length_b [15.5122]
_cell_length_c [5.8708]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pa2NbGe2]
_chemical_formula_sum '[Pa8 Nb4 Ge8]'
_cell_volume [430.4934]
_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  0.0000  0.0031  0.2622  1
  Pa  Pa1  4  0.0000  0.1942  0.0453  1
  Nb  Nb2  4  0.0000  0.3914  0.0068  1
  Ge  Ge3  4  0.0000  0.1827  0.5429  1
  Ge  Ge4  4  0.0000  0.4243  0.5085  1
]