data_[Sm2Mg18Au6]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.6151]
_cell_length_b [13.9884]
_cell_length_c [7.5361]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.6511]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm(Mg3Au)3]
_chemical_formula_sum '[Sm2 Mg18 Au6]'
_cell_volume [550.1697]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0000  1
  Mg  Mg1  8  0.0968  0.3917  0.2090  1
  Mg  Mg2  8  0.1735  0.1767  0.3366  1
  Mg  Mg3  2  0.0000  0.0000  0.5000  1
  Au  Au4  4  0.2500  0.2500  0.0000  1
  Au  Au5  2  0.0000  0.5000  0.5000  1
]