data_[K4Rb4Ge4Se12]
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 [C2/m]
_cell_length_a [9.7526]
_cell_length_b [9.9002]
_cell_length_c [10.2294]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.6059]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KRbGeSe3]
_chemical_formula_sum '[K4 Rb4 Ge4 Se12]'
_cell_volume [985.7272]
_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
[
  K  K0  4  0.0000  0.2658  0.5000  1.0
  Rb  Rb1  4  0.1834  0.0000  0.1193  1.0
  Ge  Ge2  4  0.1724  0.0000  0.7134  1.0
  Se  Se3  8  0.1183  0.1956  0.8160  1.0
  Se  Se4  4  0.2425  0.0000  0.5035  1.0
]