data_[Rb12Pr9Sc3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Pr  1.1300  1.8500  1.0600
  Sc  1.3600  1.6000  0.8850
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.3306]
_cell_length_b [8.3306]
_cell_length_c [23.1231]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Rb4Pr3ScS8]
_chemical_formula_sum '[Rb12 Pr9 Sc3 S24]'
_cell_volume [1389.7376]
_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
  Pr  Pr2  9  0.0000  0.5000  0.0000  1
  Sc  Sc3  3  -0.0000  -0.0000  0.0000  1
  S  S4  18  0.0194  0.5097  0.7306  1
  S  S5  6  0.0000  0.0000  0.2661  1
]