data_[Cs14K2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [11.9572]
_cell_length_b [19.2833]
_cell_length_c [7.2279]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Cs7KAu2]
_chemical_formula_sum '[Cs14 K2 Au4]'
_cell_volume [1666.5569]
_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
[
  Cs  Cs0  8  0.1919  0.1431  0.5000  1.0
  Cs  Cs1  4  0.0000  0.3016  0.0000  1.0
  Cs  Cs2  2  0.0000  0.5000  0.5000  1.0
  K  K3  2  0.0000  0.0000  0.0000  1.0
  Au  Au4  4  0.0000  0.3019  0.5000  1.0
]