data_[Sm6Al6Zn16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Al  1.6100  1.2500  0.6750
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.3491]
_cell_length_b [9.6519]
_cell_length_c [12.8538]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Sm3Al3Zn8]
_chemical_formula_sum '[Sm6 Al6 Zn16]'
_cell_volume [539.5645]
_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  4  0.0000  0.0000  0.1947  1.0
  Sm  Sm1  2  0.0000  0.0000  0.5000  1.0
  Al  Al2  4  0.0000  0.2089  0.0000  1.0
  Al  Al3  2  0.0000  0.5000  0.5000  1.0
  Zn  Zn4  8  0.0000  0.2753  0.3609  1.0
  Zn  Zn5  8  0.0000  0.3673  0.1624  1.0
]