data_[Sm3Au1I7]
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 [P3m1]
_cell_length_a [8.7611]
_cell_length_b [8.7611]
_cell_length_c [7.4576]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Sm3AuI7]
_chemical_formula_sum '[Sm3 Au1 I7]'
_cell_volume [495.7292]
_cell_formula_units_Z [1]
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  3  0.3281  0.1640  0.2229  1
  Au  Au1  1  0.0000  0.0000  0.4381  1
  I  I2  3  0.0014  0.5007  0.4604  1
  I  I3  3  0.1645  0.3289  0.9757  1
  I  I4  1  0.6667  0.3333  0.9696  1
]