data_[Cs2Sb2Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sb  2.0500  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.3550]
_cell_length_b [3.9673]
_cell_length_c [6.0282]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.1445]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CsSbAu3]
_chemical_formula_sum '[Cs2 Sb2 Au6]'
_cell_volume [289.1254]
_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  0.1515  0.0000  0.0436  1.0
  Sb  Sb1  2  0.3285  0.5000  0.7059  1.0
  Au  Au2  2  0.1053  0.5000  0.4864  1.0
  Au  Au3  2  0.4118  0.0000  0.0504  1.0
  Au  Au4  2  0.4329  0.5000  0.4048  1.0
]