data_[Tl6Cr3In3I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cr  1.6600  1.4000  0.9400
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.3810]
_cell_length_b [8.3810]
_cell_length_c [20.8302]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Tl2CrInI6]
_chemical_formula_sum '[Tl6 Cr3 In3 I18]'
_cell_volume [1267.1234]
_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
[
  Tl  Tl0  3  0.0000  0.0000  0.4641  1.0
  Tl  Tl1  3  0.0000  0.0000  0.9750  1.0
  Cr  Cr2  3  0.0000  0.0000  0.6752  1.0
  In  In3  3  0.0000  0.0000  0.1806  1.0
  I  I4  9  0.0350  0.4308  0.4177  1.0
  I  I5  9  0.0958  0.7206  0.2634  1.0
]