data_[Cs3Er3In6I18]
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
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.6975]
_cell_length_b [8.6975]
_cell_length_c [23.3459]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [CsEr(InI3)2]
_chemical_formula_sum '[Cs3 Er3 In6 I18]'
_cell_volume [1529.4350]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.8145  1.0
  Er  Er1  3  0.0000  0.0000  0.3279  1.0
  In  In2  3  0.0000  0.0000  0.0025  1.0
  In  In3  3  0.0000  0.0000  0.5175  1.0
  I  I4  9  0.0441  0.3754  0.9239  1.0
  I  I5  9  0.0795  0.7073  0.0762  1.0
]