data_[Sm12Mg20Zn8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Mg  1.3100  1.5000  0.8600
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [10.8597]
_cell_length_b [15.1410]
_cell_length_c [6.1191]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Sm3Mg5Zn2]
_chemical_formula_sum '[Sm12 Mg20 Zn8]'
_cell_volume [1006.1489]
_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  8  0.2070  0.1730  0.0000  1
  Sm  Sm1  4  0.0000  0.0000  0.2500  1
  Mg  Mg2  8  0.0000  0.3131  0.2500  1
  Mg  Mg3  8  0.2213  0.4374  0.0000  1
  Mg  Mg4  4  0.0000  0.5000  0.2500  1
  Zn  Zn5  8  0.0868  0.1743  0.5000  1
]