data_[K4Sn4Au4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.3641]
_cell_length_b [7.8827]
_cell_length_c [7.6659]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5939]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KSnAuSe3]
_chemical_formula_sum '[K4 Sn4 Au4 Se12]'
_cell_volume [817.7374]
_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  0.1646  0.5000  0.2486  1.0
  Sn  Sn1  4  0.0786  0.0000  0.8710  1.0
  Au  Au2  4  0.0000  0.2965  0.5000  1.0
  Se  Se3  8  0.1444  0.2771  0.7837  1.0
  Se  Se4  4  0.1132  0.0000  0.2290  1.0
]