data_[Rb3Ho3Tl6I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ho  1.2300  1.7500  1.0410
  Tl  1.6200  1.9000  1.3325
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.7075]
_cell_length_b [8.7075]
_cell_length_c [22.9428]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [RbHo(TlI3)2]
_chemical_formula_sum '[Rb3 Ho3 Tl6 I18]'
_cell_volume [1506.4878]
_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
[
  Rb  Rb0  3  0.0000  0.0000  0.8165  1.0
  Ho  Ho1  3  0.0000  0.0000  0.3266  1.0
  Tl  Tl2  3  0.0000  0.0000  0.0097  1.0
  Tl  Tl3  3  0.0000  0.0000  0.5222  1.0
  I  I4  9  0.0571  0.3639  0.9202  1.0
  I  I5  9  0.0593  0.6724  0.0755  1.0
]