data_[Sm4Al4Sn12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Al  1.6100  1.2500  0.6750
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [12.7699]
_cell_length_b [6.2684]
_cell_length_c [6.3548]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [SmAlSn3]
_chemical_formula_sum '[Sm4 Al4 Sn12]'
_cell_volume [508.6828]
_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  0.3025  0.0084  0.7500  1.0
  Al  Al1  4  0.1164  0.2500  0.0000  1.0
  Sn  Sn2  4  0.0651  0.6474  0.2500  1.0
  Sn  Sn3  4  0.2590  0.5161  0.7500  1.0
  Sn  Sn4  4  0.4998  0.7500  0.0000  1.0
]