data_[Rb6Sc4Sn2S12]
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
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8422]
_cell_length_b [11.8543]
_cell_length_c [7.9271]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7032]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3Sc2SnS6]
_chemical_formula_sum '[Rb6 Sc4 Sn2 S12]'
_cell_volume [615.8329]
_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  0.1642  0.5000  1.0
  Rb  Rb1  2  0.0000  0.5000  0.5000  1.0
  Sc  Sc2  4  0.0000  0.3330  0.0000  1.0
  Sn  Sn3  2  0.0000  0.0000  0.0000  1.0
  S  S4  8  0.2339  0.1723  0.1848  1.0
  S  S5  4  0.2169  0.5000  0.1840  1.0
]