data_[La36Sm18Cd3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sm  1.1700  1.8500  1.2290
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [13.5645]
_cell_length_b [13.5645]
_cell_length_c [12.8407]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [La12Sm6Cd]
_chemical_formula_sum '[La36 Sm18 Cd3]'
_cell_volume [2046.1126]
_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  0.0000  0.2603  0.0000  1
  La  La1  18  0.0582  0.5291  0.1103  1
  Sm  Sm2  18  0.0893  0.9107  0.7727  1
  Cd  Cd3  3  0.0000  0.0000  0.0000  1
]