data_[La4Pr16Al2]
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/m]
_cell_length_a [18.5998]
_cell_length_b [5.0872]
_cell_length_c [8.1655]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5741]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Pr8Al]
_chemical_formula_sum '[La4 Pr16 Al2]'
_cell_volume [747.7695]
_cell_formula_units_Z [2]
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  0.2244  0.0000  0.6335  1.0
  Pr  Pr1  4  0.0416  0.0000  0.7350  1.0
  Pr  Pr2  4  0.0876  0.5000  0.4340  1.0
  Pr  Pr3  4  0.1349  0.0000  0.1725  1.0
  Pr  Pr4  4  0.1738  0.5000  0.9075  1.0
  Al  Al5  2  0.0000  0.5000  0.0000  1.0
]