data_[La4Pr12Al2]
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 [17.8392]
_cell_length_b [9.7948]
_cell_length_c [3.6386]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.2205]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Pr6Al]
_chemical_formula_sum '[La4 Pr12 Al2]'
_cell_volume [632.0340]
_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  0.1700  0.5000  0.4165  1
  Pr  Pr1  8  0.1639  0.1677  0.9733  1
  Pr  Pr2  4  0.0000  0.2785  0.5000  1
  Al  Al3  2  0.0000  0.0000  0.0000  1
]