data_[K2Sc2Au2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sc  1.3600  1.6000  0.8850
  Au  2.5400  1.3500  1.0700
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.2398]
_cell_length_b [11.0819]
_cell_length_c [6.9296]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.6098]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [KScAuCl6]
_chemical_formula_sum '[K2 Sc2 Au2 Cl12]'
_cell_volume [553.3063]
_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  0.0000  0.9793  0.0000  1.0
  Sc  Sc1  2  0.0000  0.3197  0.5000  1.0
  Au  Au2  2  0.0000  0.6680  0.5000  1.0
  Cl  Cl3  4  0.1215  0.5016  0.7138  1.0
  Cl  Cl4  4  0.1448  0.1907  0.7465  1.0
  Cl  Cl5  4  0.1976  0.8241  0.6737  1.0
]