data_[Cs4Ho2Tl2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [P2_1/c]
_cell_length_a [8.7179]
_cell_length_b [9.2002]
_cell_length_c [15.3301]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.4681]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cs2HoTlI6]
_chemical_formula_sum '[Cs4 Ho2 Tl2 I12]'
_cell_volume [1013.7107]
_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  0.2739  0.5754  0.7486  1.0
  Ho  Ho1  2  0.0000  0.0000  0.5000  1.0
  Tl  Tl2  2  0.5000  0.0000  0.0000  1.0
  I  I3  4  0.1485  0.5151  0.2328  1.0
  I  I4  4  0.2193  0.2225  0.0427  1.0
  I  I5  4  0.3263  0.6798  0.0425  1.0
]