data_[Sm8Au2I10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.5545]
_cell_length_b [4.2674]
_cell_length_c [9.1608]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6427]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm4AuI5]
_chemical_formula_sum '[Sm8 Au2 I10]'
_cell_volume [745.9008]
_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  0.0010  0.0000  0.2167  1.0
  Sm  Sm1  4  0.1501  0.5000  0.0757  1.0
  Au  Au2  2  0.0000  0.5000  0.0000  1.0
  I  I3  4  0.1685  0.0000  0.3402  1.0
  I  I4  4  0.1740  0.0000  0.8258  1.0
  I  I5  2  0.0000  0.5000  0.5000  1.0
]