data_[Rb4Sc2Te4S12]
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
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.8884]
_cell_length_b [7.4189]
_cell_length_c [8.7349]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1166]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2Sc(TeS3)2]
_chemical_formula_sum '[Rb4 Sc2 Te4 S12]'
_cell_volume [666.6917]
_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  0.1950  0.5000  0.1187  1
  Sc  Sc1  2  0.0000  0.5000  0.5000  1
  Te  Te2  4  0.0851  0.0000  0.2539  1
  S  S3  8  0.0398  0.2851  0.7498  1
  S  S4  4  0.2406  0.5000  0.5039  1
]