data_[Cs8Sm4Bi4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sm  1.1700  1.8500  1.2290
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [8.7799]
_cell_length_b [8.9582]
_cell_length_c [12.5470]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Cs2SmBiS4]
_chemical_formula_sum '[Cs8 Sm4 Bi4 S16]'
_cell_volume [986.8355]
_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
[
  Cs  Cs0  4  0.0000  0.0000  0.0000  1.0
  Cs  Cs1  4  0.2500  0.2500  0.2500  1.0
  Sm  Sm2  4  0.2500  0.2500  0.7500  1.0
  Bi  Bi3  4  0.0000  0.0000  0.5000  1.0
  S  S4  8  0.0000  0.0435  0.7310  1.0
  S  S5  8  0.2128  0.2500  0.5217  1.0
]