data_[Rb8Ge4Se4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ge  2.0100  1.2500  0.7700
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.9270]
_cell_length_b [7.0791]
_cell_length_c [10.0379]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.5542]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2GeSeS2]
_chemical_formula_sum '[Rb8 Ge4 Se4 S8]'
_cell_volume [805.1458]
_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  0.0821  0.5000  0.8698  1
  Rb  Rb1  4  0.1952  0.0000  0.3245  1
  Ge  Ge2  4  0.1187  0.0000  0.6783  1
  Se  Se3  4  0.1118  0.0000  0.9046  1
  S  S4  4  0.0000  0.2397  0.5000  1
  S  S5  4  0.2091  0.5000  0.2797  1
]