data_[Rb9Sm9Bi3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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 [R-3m]
_cell_length_a [8.2418]
_cell_length_b [8.2418]
_cell_length_c [23.5443]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Rb3Sm3BiS8]
_chemical_formula_sum '[Rb9 Sm9 Bi3 S24]'
_cell_volume [1385.0396]
_cell_formula_units_Z [3]
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
[
  Rb  Rb0  9  0.0000  0.5000  0.0000  1.0
  Sm  Sm1  9  0.0000  0.5000  0.5000  1.0
  Bi  Bi2  3  -0.0000  -0.0000  0.5000  1.0
  S  S3  18  0.0063  0.5032  0.2306  1.0
  S  S4  6  0.0000  0.0000  0.2310  1.0
]