data_[La2Sm2I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sm  1.1700  1.8500  1.2290
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.0707]
_cell_length_b [4.0200]
_cell_length_c [12.6684]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3844]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LaSmI3]
_chemical_formula_sum '[La2 Sm2 I6]'
_cell_volume [392.2396]
_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
[
  La  La0  2  0.1297  0.7500  0.1729  1
  Sm  Sm1  2  0.1202  0.7500  0.6725  1
  I  I2  2  0.1934  0.7500  0.4402  1
  I  I3  2  0.2003  0.7500  0.9328  1
  I  I4  2  0.4655  0.2500  0.2461  1
]