data_[Sm4Cu8I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Cu  1.9000  1.3500  0.8200
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.0588]
_cell_length_b [13.6288]
_cell_length_c [7.7034]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9431]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sm(CuI3)2]
_chemical_formula_sum '[Sm4 Cu8 I24]'
_cell_volume [1504.0969]
_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  0.1059  0.7500  1.0
  Cu  Cu1  8  0.2031  0.4142  0.7462  1.0
  I  I2  8  0.1116  0.0833  0.1638  1.0
  I  I3  8  0.1231  0.4884  0.9604  1.0
  I  I4  8  0.1557  0.2243  0.6946  1.0
]