data_[Sm2Ni18Sn4]
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 [P4/mbm]
_cell_length_a [8.2362]
_cell_length_b [8.2362]
_cell_length_c [4.8979]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [SmNi9Sn2]
_chemical_formula_sum '[Sm2 Ni18 Sn4]'
_cell_volume [332.2521]
_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  0.0000  1
  Ni  Ni1  8  0.0663  0.2065  0.5000  1
  Ni  Ni2  8  0.1735  0.6735  0.2463  1
  Ni  Ni3  2  0.0000  0.5000  0.5000  1
  Sn  Sn4  4  0.1278  0.3722  0.0000  1
]