data_[Pr4Pa4Ti4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Pa  1.5000  1.8000  1.0400
  Ti  1.5400  1.4000  0.8517
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [16.5328]
_cell_length_b [3.2497]
_cell_length_c [5.5836]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [PrPaTi]
_chemical_formula_sum '[Pr4 Pa4 Ti4]'
_cell_volume [299.9844]
_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
[
  Pr  Pr0  4  0.3175  0.0000  0.3788  1
  Pa  Pa1  2  0.0000  0.0000  0.3895  1
  Pa  Pa2  2  0.5000  0.0000  0.7200  1
  Ti  Ti3  4  0.1475  0.0000  0.7332  1
]