data_[La18Pr3Sm36]
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 [R-3]
_cell_length_a [12.3513]
_cell_length_b [12.3513]
_cell_length_c [15.2546]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [La6PrSm12]
_chemical_formula_sum '[La18 Pr3 Sm36]'
_cell_volume [2015.3819]
_cell_formula_units_Z [3]
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  18  0.0110  0.5911  0.6835  1
  Pr  Pr1  3  0.0000  0.0000  0.0000  1
  Sm  Sm2  18  0.0021  0.1714  0.1906  1
  Sm  Sm3  18  0.0491  0.1943  0.4166  1
]