data_[Rb12Sm9Sb3S24]
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
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.3264]
_cell_length_b [8.3264]
_cell_length_c [23.0501]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Rb4Sm3SbS8]
_chemical_formula_sum '[Rb12 Sm9 Sb3 S24]'
_cell_volume [1383.9252]
_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  0.5000  1
  Rb  Rb1  3  -0.0000  -0.0000  0.5000  1
  Sm  Sm2  9  0.0000  0.5000  0.0000  1
  Sb  Sb3  3  -0.0000  -0.0000  0.0000  1
  S  S4  18  0.0025  0.5013  0.7314  1
  S  S5  6  0.0000  0.0000  0.2680  1
]