data_[Sm16Al24Cu8]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [7.4531]
_cell_length_b [9.0145]
_cell_length_c [15.5957]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Sm2Al3Cu]
_chemical_formula_sum '[Sm16 Al24 Cu8]'
_cell_volume [1047.8067]
_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  8  0.2447  0.0000  0.0000  1.0
  Sm  Sm1  8  0.2500  0.2500  0.2500  1.0
  Al  Al2  16  0.0000  0.2458  0.0853  1.0
  Al  Al3  8  0.0000  0.0000  0.3307  1.0
  Cu  Cu4  8  0.0000  0.0000  0.1675  1.0
]