data_[Cs10K4Hg2Au4]
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
  Hg  2.0000  1.5000  1.2450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [15.8085]
_cell_length_b [15.8085]
_cell_length_c [4.8312]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Cs5K2HgAu2]
_chemical_formula_sum '[Cs10 K4 Hg2 Au4]'
_cell_volume [1207.3421]
_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  0.0504  0.7878  0.5000  1
  Cs  Cs1  2  0.0000  0.5000  0.5000  1
  K  K2  4  0.2060  0.2940  0.0000  1
  Hg  Hg3  2  0.0000  0.0000  0.0000  1
  Au  Au4  4  0.1337  0.6337  0.0000  1
]