data_[Sm6Cd48In3]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [10.1585]
_cell_length_b [10.1585]
_cell_length_c [14.8823]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Sm2Cd16In]
_chemical_formula_sum '[Sm6 Cd48 In3]'
_cell_volume [1330.0243]
_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  3  0.0000  0.0000  0.3264  1
  Sm  Sm1  3  0.0000  0.0000  0.6676  1
  Cd  Cd2  18  0.0023  0.3087  0.9994  1
  Cd  Cd3  9  0.0148  0.5074  0.8516  1
  Cd  Cd4  9  0.0336  0.5168  0.4938  1
  Cd  Cd5  9  0.0521  0.5260  0.1542  1
  Cd  Cd6  3  0.0000  0.0000  0.9076  1
  In  In7  3  0.0000  0.0000  0.1029  1
]