data_[Sm4Au8I24]
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/c]
_cell_length_a [14.8327]
_cell_length_b [15.1479]
_cell_length_c [8.4434]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.8654]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sm(AuI3)2]
_chemical_formula_sum '[Sm4 Au8 I24]'
_cell_volume [1721.2304]
_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  0.0855  0.2500  1.0
  Au  Au1  8  0.2235  0.4846  0.3017  1.0
  I  I2  8  0.1074  0.0917  0.6694  1.0
  I  I3  8  0.1082  0.4542  0.9374  1.0
  I  I4  8  0.1545  0.1970  0.2295  1.0
]