data_[Sm16Ga24Si8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ga  1.8100  1.3000  0.7600
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [8.3782]
_cell_length_b [8.4082]
_cell_length_c [14.5495]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Sm2Ga3Si]
_chemical_formula_sum '[Sm16 Ga24 Si8]'
_cell_volume [1024.9520]
_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  0.0000  0.2469  0.0000  1.0
  Sm  Sm1  8  0.2500  0.2500  0.2500  1.0
  Ga  Ga2  16  0.2489  0.0000  0.0838  1.0
  Ga  Ga3  8  0.0000  0.0000  0.3321  1.0
  Si  Si4  8  0.0000  0.0000  0.1670  1.0
]