data_[Rb8Sn4Te4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9815]
_cell_length_b [19.6634]
_cell_length_c [14.5159]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Rb2SnTeS5]
_chemical_formula_sum '[Rb8 Sn4 Te4 S20]'
_cell_volume [1136.4513]
_cell_formula_units_Z [4]
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  0.1080  0.6720  1
  Rb  Rb1  4  0.0000  0.1338  0.3127  1
  Sn  Sn2  4  0.0000  0.4365  0.4297  1
  Te  Te3  4  0.0000  0.2199  0.0345  1
  S  S4  4  0.0000  0.0441  0.0324  1
  S  S5  4  0.0000  0.2785  0.6543  1
  S  S6  4  0.0000  0.3143  0.3981  1
  S  S7  4  0.0000  0.3351  0.9977  1
  S  S8  4  0.0000  0.4979  0.2924  1
]