data_[Cs8Sr4Au4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sr  0.9500  2.0000  1.3200
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.8468]
_cell_length_b [22.5952]
_cell_length_c [16.0407]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cs2SrAuI5]
_chemical_formula_sum '[Cs8 Sr4 Au4 I20]'
_cell_volume [1756.6868]
_cell_formula_units_Z [4]
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  0.1235  0.3355  1.0
  Cs  Cs1  4  0.0000  0.1256  0.7009  1.0
  Sr  Sr2  4  0.0000  0.1972  0.0168  1.0
  Au  Au3  4  0.0000  0.4623  0.4315  1.0
  I  I4  4  0.0000  0.0472  0.0189  1.0
  I  I5  4  0.0000  0.3010  0.3737  1.0
  I  I6  4  0.0000  0.3049  0.6590  1.0
  I  I7  4  0.0000  0.3417  0.0182  1.0
  I  I8  4  0.0000  0.4988  0.2694  1.0
]