data_[Sm3Zn1Cu8]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.2268]
_cell_length_b [5.2268]
_cell_length_c [8.4700]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Sm3ZnCu8]
_chemical_formula_sum '[Sm3 Zn1 Cu8]'
_cell_volume [200.3952]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.9091  1
  Sm  Sm1  1  0.6667  0.3333  0.0684  1
  Sm  Sm2  1  0.6667  0.3333  0.4579  1
  Zn  Zn3  1  0.0000  0.0000  0.5377  1
  Cu  Cu4  3  0.0056  0.5028  0.7487  1
  Cu  Cu5  3  0.1656  0.3311  0.2563  1
  Cu  Cu6  1  0.3333  0.6667  0.0067  1
  Cu  Cu7  1  0.3333  0.6667  0.5053  1
]