data_[K2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2351]
_cell_length_b [6.0078]
_cell_length_c [7.1803]
_cell_angle_alpha [78.7115]
_cell_angle_beta [82.1960]
_cell_angle_gamma [71.1754]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [KSe2]
_chemical_formula_sum '[K2 Se4]'
_cell_volume [208.9744]
_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
[
  K  K0  1  0.7228  0.7312  0.5537  1.0
  K  K1  1  0.8986  0.2653  0.1366  1.0
  Se  Se2  1  0.0633  0.0278  0.7209  1.0
  Se  Se3  1  0.2706  0.6382  0.9073  1.0
  Se  Se4  1  0.2833  0.2994  0.4680  1.0
  Se  Se5  1  0.3060  0.6862  0.2320  1.0
]