data_[Sm8Ni8Sn16]
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 [Immm]
_cell_length_a [4.4964]
_cell_length_b [9.2812]
_cell_length_c [17.3360]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [SmNiSn2]
_chemical_formula_sum '[Sm8 Ni8 Sn16]'
_cell_volume [723.4596]
_cell_formula_units_Z [8]
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  0.2945  1
  Sm  Sm1  4  0.0000  0.2362  0.5000  1
  Ni  Ni2  8  0.0000  0.2535  0.1483  1
  Sn  Sn3  8  0.0000  0.3369  0.3042  1
  Sn  Sn4  4  0.0000  0.0000  0.0840  1
  Sn  Sn5  4  0.0000  0.5000  0.0805  1
]