data_[Sm8Ag8Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7084]
_cell_length_b [4.0531]
_cell_length_c [12.0359]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1160]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2Ag2Au]
_chemical_formula_sum '[Sm8 Ag8 Au4]'
_cell_volume [493.5791]
_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  4  0.0000  0.0000  0.6641  1.0
  Sm  Sm1  4  0.1823  0.0000  0.1103  1.0
  Ag  Ag2  4  0.0403  0.5000  0.8947  1.0
  Ag  Ag3  4  0.1502  0.5000  0.5384  1.0
  Au  Au4  4  0.2019  0.5000  0.3055  1.0
]