data_[Rb4Ge2Se6]
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
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.2298]
_cell_length_b [7.8944]
_cell_length_c [9.1367]
_cell_angle_alpha [74.5621]
_cell_angle_beta [69.9275]
_cell_angle_gamma [65.5830]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Rb2GeSe3]
_chemical_formula_sum '[Rb4 Ge2 Se6]'
_cell_volume [441.2559]
_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  2  0.1659  0.4509  0.6808  1.0
  Rb  Rb1  2  0.4025  0.8019  0.8782  1.0
  Ge  Ge2  2  0.1289  0.9435  0.3186  1.0
  Se  Se3  2  0.1215  0.1758  0.0984  1.0
  Se  Se4  2  0.2294  0.0261  0.5168  1.0
  Se  Se5  2  0.3203  0.6303  0.2793  1.0
]