data_[La4Pr16Al4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pr  1.1300  1.8500  1.0600
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.1498]
_cell_length_b [14.2374]
_cell_length_c [6.5272]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6513]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LaPr4Al]
_chemical_formula_sum '[La4 Pr16 Al4]'
_cell_volume [800.7655]
_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
[
  La  La0  4  0.0000  0.4055  0.2500  1.0
  Pr  Pr1  8  0.1007  0.1814  0.5512  1.0
  Pr  Pr2  8  0.2228  0.3911  0.8709  1.0
  Al  Al3  4  0.0000  0.0004  0.2500  1.0
]