data_[K1Sm1Pb2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sm  1.1700  1.8500  1.2290
  Pb  2.3300  1.8000  1.1225
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.4013]
_cell_length_b [9.7602]
_cell_length_c [7.8349]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.8651]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [KSm(PbI4)2]
_chemical_formula_sum '[K1 Sm1 Pb2 I8]'
_cell_volume [565.9188]
_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
[
  K  K0  1  0.0000  0.5000  0.0000  1
  Sm  Sm1  1  0.0000  0.0000  0.0000  1
  Pb  Pb2  2  0.5000  0.2512  0.5000  1
  I  I3  4  0.2472  0.2244  0.1550  1
  I  I4  2  0.2390  0.0000  0.6710  1
  I  I5  2  0.2672  0.5000  0.6371  1
]