data_[Sm16Pt4Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Pt  2.2800  1.3500  0.8050
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.6067]
_cell_length_b [13.3683]
_cell_length_c [5.9276]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3643]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Sm8Pt2Au]
_chemical_formula_sum '[Sm16 Pt4 Au2]'
_cell_volume [650.9296]
_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  0.2075  0.1266  0.6100  1
  Sm  Sm1  4  0.2861  0.3733  0.4210  1
  Sm  Sm2  4  0.4991  0.2728  0.0094  1
  Sm  Sm3  2  0.1213  0.5000  0.8238  1
  Sm  Sm4  2  0.3692  0.0000  0.1943  1
  Pt  Pt5  4  0.4967  0.1968  0.5096  1
  Au  Au6  2  0.4966  0.5000  0.8822  1
]