data_[Cs2K2Sn2Te2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.5907]
_cell_length_b [8.1608]
_cell_length_c [9.2387]
_cell_angle_alpha [75.8033]
_cell_angle_beta [72.8809]
_cell_angle_gamma [65.8860]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsKSnTeSe2]
_chemical_formula_sum '[Cs2 K2 Sn2 Te2 Se4]'
_cell_volume [494.0657]
_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
[
  Cs  Cs0  2  0.3395  0.5230  0.3119  1
  K  K1  2  0.0788  0.2108  0.1003  1
  Sn  Sn2  2  0.3505  0.0704  0.7013  1
  Te  Te3  2  0.2509  0.9867  0.4564  1
  Se  Se4  2  0.1680  0.3990  0.7342  1
  Se  Se5  2  0.3375  0.8348  0.9325  1
]