data_[Sm24Pb4S16]
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 [4.0758]
_cell_length_b [13.3967]
_cell_length_c [20.6103]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sm6PbS4]
_chemical_formula_sum '[Sm24 Pb4 S16]'
_cell_volume [1125.3581]
_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  0.0375  0.1567  1
  Sm  Sm1  8  0.0000  0.2286  0.5826  1
  Sm  Sm2  4  0.0000  0.3438  0.2500  1
  Sm  Sm3  4  0.0000  0.5000  0.0000  1
  Pb  Pb4  4  0.0000  0.3388  0.7500  1
  S  S5  8  0.0000  0.1374  0.0393  1
  S  S6  8  0.0000  0.4043  0.1219  1
]