data_[Rb3Sm3Sc12S24]
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
  Sc  1.3600  1.6000  0.8850
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.8231]
_cell_length_b [7.8231]
_cell_length_c [20.3322]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [RbSm(ScS2)4]
_chemical_formula_sum '[Rb3 Sm3 Sc12 S24]'
_cell_volume [1077.6301]
_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  3  0.0000  0.0000  0.3626  1
  Sm  Sm1  3  0.0000  0.0000  0.0049  1
  Sc  Sc2  9  0.1731  0.3461  0.8306  1
  Sc  Sc3  3  0.0000  0.0000  0.6268  1
  S  S4  9  0.0389  0.5195  0.7645  1
  S  S5  9  0.1709  0.3418  0.5799  1
  S  S6  3  0.0000  0.0000  0.2243  1
  S  S7  3  0.0000  0.0000  0.7566  1
]