data_[Pr16Th16Pa16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Th  1.3000  1.8000  1.0800
  Pa  1.5000  1.8000  1.0400
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [6.4599]
_cell_length_b [11.3187]
_cell_length_c [20.8427]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [PrThPa]
_chemical_formula_sum '[Pr16 Th16 Pa16]'
_cell_volume [1523.9653]
_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
[
  Pr  Pr0  16  0.0000  0.0000  0.4229  1
  Th  Th1  16  0.0000  0.0000  0.1257  1
  Pa  Pa2  16  0.0000  0.1644  0.0000  1
]