data_[Pa8Nb4]
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
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.0740]
_cell_length_b [5.9427]
_cell_length_c [8.7884]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Pa2Nb]
_chemical_formula_sum '[Pa8 Nb4]'
_cell_volume [264.9977]
_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  8  0.0000  0.0095  0.6664  1
  Nb  Nb1  4  0.0000  0.2500  0.0015  1
]