data_[K2Rb2Ge2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [7.1373]
_cell_length_b [7.7866]
_cell_length_c [9.0842]
_cell_angle_alpha [86.4637]
_cell_angle_beta [67.0891]
_cell_angle_gamma [63.8787]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KRbGeSe3]
_chemical_formula_sum '[K2 Rb2 Ge2 Se6]'
_cell_volume [413.8414]
_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  0.1156  0.0587  0.6772  1
  K  K1  2  0.2757  0.3018  0.1172  1
  Ge  Ge2  2  0.4348  0.4429  0.6869  1
  Se  Se3  2  0.2221  0.6799  0.9099  1
  Se  Se4  2  0.2357  0.5155  0.5045  1
  Se  Se5  2  0.4497  0.8789  0.2682  1
]