data_[K2Rb2Sn2Se2S4]
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
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.0294]
_cell_length_b [7.7851]
_cell_length_c [8.7373]
_cell_angle_alpha [73.9070]
_cell_angle_beta [72.0110]
_cell_angle_gamma [67.2690]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KRbSnSeS2]
_chemical_formula_sum '[K2 Rb2 Sn2 Se2 S4]'
_cell_volume [412.6024]
_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  0.0952  0.1906  0.1286  1
  K  K1  2  0.3580  0.5380  0.2975  1
  Sn  Sn2  2  0.3653  0.0570  0.6866  1
  Se  Se3  2  0.1633  0.3953  0.7102  1
  S  S4  2  0.2731  0.9564  0.4781  1
  S  S5  2  0.3795  0.8129  0.9185  1
]