data_[K4Rb2Se2]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [8.3988]
_cell_length_b [8.5802]
_cell_length_c [8.6146]
_cell_angle_alpha [60.1515]
_cell_angle_beta [70.1593]
_cell_angle_gamma [79.4385]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [K2RbSe]
_chemical_formula_sum '[K4 Rb2 Se2]'
_cell_volume [506.4060]
_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  0.2649  0.0044  0.2109  1
  K  K1  2  0.2838  0.3770  0.5724  1
  K  K2  2  0.2857  0.6349  0.9434  1
  Se  Se3  2  0.4987  0.3414  0.8293  1
]