data_[K2Sb4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.9351]
_cell_length_b [7.0411]
_cell_length_c [9.4691]
_cell_angle_alpha [79.5363]
_cell_angle_beta [83.0063]
_cell_angle_gamma [75.8537]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [K(SbSe2)2]
_chemical_formula_sum '[K2 Sb4 Se8]'
_cell_volume [439.4520]
_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  2  0.2018  0.1884  0.5678  1.0
  Sb  Sb1  2  0.1475  0.1888  0.0442  1.0
  Sb  Sb2  2  0.4170  0.6057  0.1631  1.0
  Se  Se3  2  0.0848  0.4813  0.2260  1.0
  Se  Se4  2  0.2136  0.8534  0.8786  1.0
  Se  Se5  2  0.3045  0.9357  0.2733  1.0
  Se  Se6  2  0.4047  0.5896  0.5938  1.0
]