data_[K4Nb4Au8Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Nb  1.6000  1.4500  0.8200
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Ama2]
_cell_length_a [8.2442]
_cell_length_b [19.4517]
_cell_length_c [6.0317]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [40]
_chemical_formula_structural [KNb(AuSe2)2]
_chemical_formula_sum '[K4 Nb4 Au8 Se16]'
_cell_volume [967.2592]
_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  0.2500  0.1838  0.2787  1
  Nb  Nb1  4  0.2500  0.3870  0.9964  1
  Au  Au2  4  0.0000  0.0000  0.5212  1
  Au  Au3  4  0.2500  0.3766  0.4950  1
  Se  Se4  8  0.0006  0.1181  0.7262  1
  Se  Se5  4  0.2500  0.2792  0.7860  1
  Se  Se6  4  0.2500  0.4906  0.7474  1
]