data_[Pa16Al16Tc16]
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
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [6.3393]
_cell_length_b [11.8072]
_cell_length_c [14.1004]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [PaAlTc]
_chemical_formula_sum '[Pa16 Al16 Tc16]'
_cell_volume [1055.4113]
_cell_formula_units_Z [16]
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  16  0.0199  0.2500  0.7500  1
  Al  Al1  16  0.0000  0.2308  0.5000  1
  Tc  Tc2  16  0.1250  0.1250  0.1250  1
]