data_[Li2Pr16Al4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [18.5234]
_cell_length_b [5.2361]
_cell_length_c [7.3536]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5098]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li(Pr4Al)2]
_chemical_formula_sum '[Li2 Pr16 Al4]'
_cell_volume [696.2992]
_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
[
  Li  Li0  2  0.0000  0.5000  0.0000  1.0
  Pr  Pr1  4  0.0265  0.0000  0.7508  1.0
  Pr  Pr2  4  0.0971  0.5000  0.4671  1.0
  Pr  Pr3  4  0.1634  0.5000  0.9497  1.0
  Pr  Pr4  4  0.1939  0.0000  0.2837  1.0
  Al  Al5  4  0.1966  0.0000  0.7185  1.0
]