data_[La3Pr18Sm36]
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 [12.3033]
_cell_length_b [12.3033]
_cell_length_c [15.3485]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [La(PrSm2)6]
_chemical_formula_sum '[La3 Pr18 Sm36]'
_cell_volume [2012.0442]
_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  3  0.0000  0.0000  0.0000  1
  Pr  Pr1  18  0.0106  0.4209  0.6823  1
  Sm  Sm2  18  0.0080  0.8331  0.1913  1
  Sm  Sm3  18  0.0466  0.8533  0.4166  1
]