data_[Cs4Dy2Au2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Dy  1.2200  1.7500  1.1310
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.6960]
_cell_length_b [13.5933]
_cell_length_c [8.4054]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.2809]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2DyAuI6]
_chemical_formula_sum '[Cs4 Dy2 Au2 I12]'
_cell_volume [959.3270]
_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  0.2509  0.5000  1.0
  Dy  Dy1  2  0.0000  0.0000  0.0000  1.0
  Au  Au2  2  0.0000  0.5000  0.0000  1.0
  I  I3  4  0.0000  0.2228  0.0000  1.0
  I  I4  4  0.1440  0.5000  0.8379  1.0
  I  I5  4  0.1589  0.0000  0.4414  1.0
]