data_[Sm16In4Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  In  1.7800  1.5500  0.9400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.3212]
_cell_length_b [5.2253]
_cell_length_c [6.8789]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8189]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm8In2Au]
_chemical_formula_sum '[Sm16 In4 Au2]'
_cell_volume [674.3858]
_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  4  0.0163  0.0000  0.7722  1
  Sm  Sm1  4  0.0925  0.5000  0.4648  1
  Sm  Sm2  4  0.1526  0.5000  0.9818  1
  Sm  Sm3  4  0.2098  0.0000  0.3069  1
  In  In4  4  0.1834  0.0000  0.7498  1
  Au  Au5  2  0.0000  0.5000  0.0000  1
]