data_[Sm36Er18Cd3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Er  1.2400  1.7500  1.0300
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.9590]
_cell_length_b [11.9590]
_cell_length_c [15.0760]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Sm12Er6Cd]
_chemical_formula_sum '[Sm36 Er18 Cd3]'
_cell_volume [1867.2748]
_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
[
  Sm  Sm0  18  0.0089  0.1786  0.8136  1
  Sm  Sm1  18  0.0472  0.8476  0.4151  1
  Er  Er2  18  0.0244  0.4326  0.6918  1
  Cd  Cd3  3  0.0000  0.0000  0.0000  1
]