data_[K4Au8Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.3954]
_cell_length_b [10.3686]
_cell_length_c [6.3874]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.0324]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [K(AuSe)2]
_chemical_formula_sum '[K4 Au8 Se8]'
_cell_volume [607.7006]
_cell_formula_units_Z [4]
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  4  0.0000  0.2032  0.7500  1.0
  Au  Au1  4  0.0000  0.5000  0.0000  1.0
  Au  Au2  4  0.2500  0.2500  0.5000  1.0
  Se  Se3  8  0.2372  0.0358  0.3315  1.0
]