data_[Sm6Zn2Cd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Zn  1.6500  1.3500  0.8800
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.3184]
_cell_length_b [5.3184]
_cell_length_c [13.0235]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Sm3ZnCd2]
_chemical_formula_sum '[Sm6 Zn2 Cd4]'
_cell_volume [319.0268]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.2557  1
  Sm  Sm1  2  0.3333  0.6667  0.4164  1
  Sm  Sm2  2  0.3333  0.6667  0.9099  1
  Zn  Zn3  2  0.3333  0.6667  0.6638  1
  Cd  Cd4  2  0.3333  0.6667  0.1650  1
  Cd  Cd5  1  0.0000  0.0000  0.0000  1
  Cd  Cd6  1  0.0000  0.0000  0.5000  1
]