data_[Sm20Al4Ga8]
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
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.7930]
_cell_length_b [7.7930]
_cell_length_c [14.6658]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Sm5AlGa2]
_chemical_formula_sum '[Sm20 Al4 Ga8]'
_cell_volume [890.6623]
_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  16  0.1731  0.3269  0.3526  1
  Sm  Sm1  4  0.0000  0.0000  0.0000  1
  Al  Al2  4  0.0000  0.0000  0.2500  1
  Ga  Ga3  8  0.1185  0.6185  0.5000  1
]