data_[Sm16Mg8In24]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [7.2970]
_cell_length_b [9.9990]
_cell_length_c [17.2742]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Sm2MgIn3]
_chemical_formula_sum '[Sm16 Mg8 In24]'
_cell_volume [1260.3792]
_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  0.2481  0.0000  0.0000  1
  Sm  Sm1  8  0.2500  0.2500  0.2500  1
  Mg  Mg2  8  0.0000  0.0000  0.3327  1
  In  In3  16  0.0000  0.2477  0.4157  1
  In  In4  8  0.0000  0.0000  0.1682  1
]