data_[K4Rb4Si4Se12]
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
  Si  1.9000  1.1000  0.5400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.5825]
_cell_length_b [9.9861]
_cell_length_c [10.0294]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.3952]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KRbSiSe3]
_chemical_formula_sum '[K4 Rb4 Si4 Se12]'
_cell_volume [958.8973]
_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  0.2627  0.5000  1.0
  Rb  Rb1  4  0.1852  0.0000  0.1216  1.0
  Si  Si2  4  0.1761  0.0000  0.7112  1.0
  Se  Se3  8  0.1292  0.1878  0.8135  1.0
  Se  Se4  4  0.2445  0.0000  0.5039  1.0
]