data_[Sm12Bi16Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Bi  2.0200  1.6000  1.0350
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [10.2708]
_cell_length_b [10.2708]
_cell_length_c [10.2708]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [220]
_chemical_formula_structural [Sm3Bi4Au3]
_chemical_formula_sum '[Sm12 Bi16 Au12]'
_cell_volume [1083.4541]
_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  12  0.0000  0.2500  0.3750  1.0
  Bi  Bi1  16  0.0887  0.0887  0.0887  1.0
  Au  Au2  12  0.0000  0.2500  0.8750  1.0
]