data_[Sm2Sn2I10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Sn  1.9600  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.2218]
_cell_length_b [4.5185]
_cell_length_c [15.1222]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.5123]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SmSnI5]
_chemical_formula_sum '[Sm2 Sn2 I10]'
_cell_volume [628.1702]
_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  2  0.4083  0.7500  0.3496  1
  Sn  Sn1  2  0.0985  0.2500  0.1320  1
  I  I2  2  0.0766  0.7500  0.3140  1
  I  I3  2  0.1430  0.2500  0.9297  1
  I  I4  2  0.3204  0.2500  0.4859  1
  I  I5  2  0.3530  0.7500  0.1348  1
  I  I6  2  0.3845  0.7500  0.7057  1
]