data_[K6Au2Se26]
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 [P2/c]
_cell_length_a [15.2981]
_cell_length_b [5.0871]
_cell_length_c [13.8349]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.4566]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [K3AuSe13]
_chemical_formula_sum '[K6 Au2 Se26]'
_cell_volume [1073.4314]
_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  4  0.2772  0.1991  0.6628  1
  K  K1  2  0.0000  0.1616  0.7500  1
  Au  Au2  2  0.5000  0.0000  0.0000  1
  Se  Se3  4  0.0721  0.3199  0.0797  1
  Se  Se4  4  0.1495  0.0771  0.9649  1
  Se  Se5  4  0.1510  0.3105  0.2341  1
  Se  Se6  4  0.2679  0.3568  0.9229  1
  Se  Se7  4  0.3800  0.2999  0.0509  1
  Se  Se8  4  0.4124  0.0979  0.3416  1
  Se  Se9  2  0.5000  0.3739  0.2500  1
]