data_[La2Pr6Al4]
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 [Pmc2_1]
_cell_length_a [5.3262]
_cell_length_b [9.9473]
_cell_length_c [6.8084]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [LaPr3Al2]
_chemical_formula_sum '[La2 Pr6 Al4]'
_cell_volume [360.7164]
_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  2  0.5000  0.4520  0.5203  1
  Pr  Pr1  2  0.0000  0.0481  0.4821  1
  Pr  Pr2  2  0.0000  0.3290  0.8067  1
  Pr  Pr3  2  0.5000  0.1701  0.1920  1
  Al  Al4  2  0.0000  0.3486  0.2869  1
  Al  Al5  2  0.5000  0.1495  0.7120  1
]