data_[Sm36Cd18Sn3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Cd  1.6900  1.5500  1.0900
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [15.0915]
_cell_length_b [15.0915]
_cell_length_c [8.3009]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Sm12Cd6Sn]
_chemical_formula_sum '[Sm36 Cd18 Sn3]'
_cell_volume [1637.2725]
_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  0.0048  0.8677  0.6686  1
  Sm  Sm1  18  0.0691  0.5044  0.6691  1
  Cd  Cd2  18  0.0266  0.7511  0.3293  1
  Sn  Sn3  3  0.0000  0.0000  0.0000  1
]