data_[Cs12Pt2Au4I2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Pt  2.2800  1.3500  0.8050
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.9617]
_cell_length_b [9.5843]
_cell_length_c [15.5693]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.4715]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cs6PtAu2I]
_chemical_formula_sum '[Cs12 Pt2 Au4 I2]'
_cell_volume [1152.5804]
_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  0.0858  0.1992  0.9243  1.0
  Cs  Cs1  4  0.2084  0.6731  0.9103  1.0
  Cs  Cs2  4  0.3761  0.0640  0.7240  1.0
  Pt  Pt3  2  0.0000  0.0000  0.5000  1.0
  Au  Au4  4  0.1911  0.0950  0.2331  1.0
  I  I5  2  0.5000  0.0000  0.0000  1.0
]