data_[K1Sm1Pb2Cl8]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.6191]
_cell_length_b [8.9454]
_cell_length_c [6.8838]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7973]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [KSm(PbCl4)2]
_chemical_formula_sum '[K1 Sm1 Pb2 Cl8]'
_cell_volume [407.5588]
_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  1.0
  Sm  Sm1  1  0.0000  0.0000  0.0000  1.0
  Pb  Pb2  2  0.5000  0.2529  0.5000  1.0
  Cl  Cl3  4  0.2305  0.2203  0.1610  1.0
  Cl  Cl4  2  0.2495  0.0000  0.6836  1.0
  Cl  Cl5  2  0.2797  0.5000  0.6431  1.0
]