data_[Cs2In2Hg2Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.8618]
_cell_length_b [7.1998]
_cell_length_c [8.1988]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9689]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsInHgAu3]
_chemical_formula_sum '[Cs2 In2 Hg2 Au6]'
_cell_volume [385.2921]
_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  2  0.2772  0.7500  0.5169  1.0
  In  In1  2  0.0816  0.2500  0.0774  1.0
  Hg  Hg2  2  0.3229  0.2500  0.7787  1.0
  Au  Au3  4  0.3002  0.5551  0.0086  1.0
  Au  Au4  2  0.2005  0.2500  0.4238  1.0
]