data_[Sm6P2Pb2Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  P  2.1900  1.0000  0.5500
  Pb  2.3300  1.8000  1.1225
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.3133]
_cell_length_b [4.1332]
_cell_length_c [11.2812]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.9546]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sm3PPbCl]
_chemical_formula_sum '[Sm6 P2 Pb2 Cl2]'
_cell_volume [333.6013]
_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  0.0407  0.2500  0.1426  1
  Sm  Sm1  2  0.2706  0.2500  0.5032  1
  Sm  Sm2  2  0.4510  0.7500  0.8508  1
  P  P3  2  0.2345  0.2500  0.9433  1
  Pb  Pb4  2  0.3447  0.7500  0.3047  1
  Cl  Cl5  2  0.1237  0.7500  0.6357  1
]