data_[La8Pr6Sm16]
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 [C2/m]
_cell_length_a [13.7751]
_cell_length_b [13.1201]
_cell_length_c [6.9535]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.2889]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La4Pr3Sm8]
_chemical_formula_sum '[La8 Pr6 Sm16]'
_cell_volume [1085.1629]
_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  0.2500  0.2500  0.0000  1
  La  La1  2  0.0000  0.0000  0.0000  1
  La  La2  2  0.0000  0.0000  0.5000  1
  Pr  Pr3  4  0.2500  0.2500  0.5000  1
  Pr  Pr4  2  0.0000  0.5000  0.5000  1
  Sm  Sm5  4  0.0000  0.2574  0.5000  1
  Sm  Sm6  4  0.0000  0.3589  0.0000  1
  Sm  Sm7  4  0.2313  0.5000  0.9993  1
  Sm  Sm8  4  0.2333  0.5000  0.4732  1
]