data_[Cs1Er1Sn2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Er  1.2400  1.7500  1.0300
  Sn  1.9600  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.7216]
_cell_length_b [7.9962]
_cell_length_c [10.4931]
_cell_angle_alpha [75.7737]
_cell_angle_beta [81.9850]
_cell_angle_gamma [81.1703]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsEr(SnI4)2]
_chemical_formula_sum '[Cs1 Er1 Sn2 I8]'
_cell_volume [617.0631]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1.0
  Er  Er1  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  2  0.4713  0.4436  0.7359  1.0
  I  I3  2  0.1410  0.7249  0.2360  1.0
  I  I4  2  0.2133  0.7991  0.8141  1.0
  I  I5  2  0.2967  0.2127  0.9875  1.0
  I  I6  2  0.4047  0.2598  0.5370  1.0
]