data_[Sm6Ni12Sn8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ni  1.9100  1.3500  0.7400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [8.9282]
_cell_length_b [8.9282]
_cell_length_c [7.4623]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [Sm3(Ni3Sn2)2]
_chemical_formula_sum '[Sm6 Ni12 Sn8]'
_cell_volume [515.1477]
_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  6  0.0460  0.5230  0.7103  1
  Ni  Ni1  6  0.0936  0.1872  0.7258  1
  Ni  Ni2  6  0.1658  0.3316  0.0485  1
  Sn  Sn3  6  0.1614  0.3228  0.4157  1
  Sn  Sn4  2  0.3333  0.6667  0.0162  1
]