data_[Sm4Sn16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [4.6704]
_cell_length_b [6.4886]
_cell_length_c [18.0836]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [SmSn4]
_chemical_formula_sum '[Sm4 Sn16]'
_cell_volume [548.0098]
_cell_formula_units_Z [4]
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  0.2500  0.0914  1
  Sn  Sn1  8  0.0000  0.0093  0.6927  1
  Sn  Sn2  4  0.0000  0.0000  0.5000  1
  Sn  Sn3  4  0.0000  0.2500  0.9024  1
]