data_[Rb6Sc4In2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Sc  1.3600  1.6000  0.8850
  In  1.7800  1.5500  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.7682]
_cell_length_b [11.7227]
_cell_length_c [7.9469]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4741]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3Sc2InS6]
_chemical_formula_sum '[Rb6 Sc4 In2 S12]'
_cell_volume [604.6332]
_cell_formula_units_Z [2]
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  4  0.0000  0.1654  0.5000  1.0
  Rb  Rb1  2  0.0000  0.5000  0.5000  1.0
  Sc  Sc2  4  0.0000  0.3332  0.0000  1.0
  In  In3  2  0.0000  0.0000  0.0000  1.0
  S  S4  8  0.2312  0.1696  0.1848  1.0
  S  S5  4  0.2222  0.5000  0.1844  1.0
]