data_[La4Pr6Sm12Al2]
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
  Sm  1.1700  1.8500  1.2290
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2425]
_cell_length_b [10.8145]
_cell_length_c [11.9019]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8140]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Pr3Sm6Al]
_chemical_formula_sum '[La4 Pr6 Sm12 Al2]'
_cell_volume [791.7296]
_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  0.0000  0.3346  0.0000  1.0
  Pr  Pr1  4  0.0000  0.1688  0.5000  1.0
  Pr  Pr2  2  0.0000  0.5000  0.5000  1.0
  Sm  Sm3  8  0.2417  0.8394  0.2437  1.0
  Sm  Sm4  4  0.2418  0.0000  0.7546  1.0
  Al  Al5  2  0.0000  0.0000  0.0000  1.0
]