data_[Cs6In2Au8]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [7.1369]
_cell_length_b [8.9558]
_cell_length_c [9.2875]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Cs3InAu4]
_chemical_formula_sum '[Cs6 In2 Au8]'
_cell_volume [593.6229]
_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  4  0.0000  0.2698  0.5822  1.0
  Cs  Cs1  2  0.0000  0.0000  0.9163  1.0
  In  In2  2  0.0000  0.5000  0.0185  1.0
  Au  Au3  4  0.0000  0.2498  0.1981  1.0
  Au  Au4  4  0.1987  0.0000  0.3278  1.0
]