data_[Sm4Sn6Pb6S24]
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
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.9685]
_cell_length_b [20.6056]
_cell_length_c [11.7195]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Sm2Sn3(PbS4)3]
_chemical_formula_sum '[Sm4 Sn6 Pb6 S24]'
_cell_volume [958.3559]
_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  0.5000  0.1056  0.8250  1
  Sm  Sm1  2  0.5000  0.4123  0.1496  1
  Sn  Sn2  2  0.0000  0.0882  0.5186  1
  Sn  Sn3  2  0.0000  0.2501  0.0017  1
  Sn  Sn4  2  0.0000  0.4247  0.4942  1
  Pb  Pb5  2  0.5000  0.0864  0.1986  1
  Pb  Pb6  2  0.5000  0.2575  0.4032  1
  Pb  Pb7  2  0.5000  0.3771  0.7710  1
  S  S8  2  0.0000  0.0295  0.7111  1
  S  S9  2  0.0000  0.1252  0.9947  1
  S  S10  2  0.0000  0.1572  0.3379  1
  S  S11  2  0.0000  0.3229  0.6022  1
  S  S12  2  0.0000  0.3592  0.3070  1
  S  S13  2  0.0000  0.3733  0.9821  1
  S  S14  2  0.0000  0.4883  0.6831  1
  S  S15  2  0.5000  0.0182  0.4379  1
  S  S16  2  0.5000  0.1588  0.5992  1
  S  S17  2  0.5000  0.2439  0.8514  1
  S  S18  2  0.5000  0.2579  0.1458  1
  S  S19  2  0.5000  0.4899  0.4348  1
]