data_[Sm8Pb4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0409]
_cell_length_b [13.3157]
_cell_length_c [13.8098]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sm2PbS4]
_chemical_formula_sum '[Sm8 Pb4 S16]'
_cell_volume [743.0588]
_cell_formula_units_Z [4]
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  8  0.0000  0.1351  0.0689  1.0
  Pb  Pb1  4  0.0000  0.3922  0.2500  1.0
  S  S2  8  0.0000  0.2312  0.6137  1.0
  S  S3  4  0.0000  0.0412  0.2500  1.0
  S  S4  4  0.0000  0.5000  0.0000  1.0
]