data_[La8Pr20Sm12]
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
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [13.3844]
_cell_length_b [16.7639]
_cell_length_c [6.6738]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [La2Pr5Sm3]
_chemical_formula_sum '[La8 Pr20 Sm12]'
_cell_volume [1497.4272]
_cell_formula_units_Z [4]
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  8  0.1324  0.2234  0.5000  1
  Pr  Pr1  8  0.1261  0.1566  0.0000  1
  Pr  Pr2  8  0.2494  0.5000  0.2500  1
  Pr  Pr3  4  0.0000  0.5000  0.2500  1
  Sm  Sm4  8  0.1090  0.3433  0.0000  1
  Sm  Sm5  4  0.0000  0.0000  0.2500  1
]