data_[Sm24Sb4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1000]
_cell_length_b [13.1915]
_cell_length_c [20.5044]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sm6SbS4]
_chemical_formula_sum '[Sm24 Sb4 S16]'
_cell_volume [1108.9811]
_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  0.0423  0.1584  1
  Sm  Sm1  8  0.0000  0.2277  0.5865  1
  Sm  Sm2  4  0.0000  0.3411  0.2500  1
  Sm  Sm3  4  0.0000  0.5000  0.0000  1
  Sb  Sb4  4  0.0000  0.3373  0.7500  1
  S  S5  8  0.0000  0.1391  0.0383  1
  S  S6  8  0.0000  0.4075  0.1227  1
]