data_[Rb1Zr1Tl2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Zr  1.3300  1.5500  0.8600
  Tl  1.6200  1.9000  1.3325
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7821]
_cell_length_b [8.2042]
_cell_length_c [10.0747]
_cell_angle_alpha [89.4487]
_cell_angle_beta [72.9108]
_cell_angle_gamma [86.1690]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [RbZr(TlI4)2]
_chemical_formula_sum '[Rb1 Zr1 Tl2 I8]'
_cell_volume [534.5958]
_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
[
  Rb  Rb0  1  0.0000  0.0000  0.5000  1.0
  Zr  Zr1  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  2  0.3415  0.5477  0.8142  1.0
  I  I3  2  0.1697  0.2671  0.1048  1.0
  I  I4  2  0.2039  0.7727  0.1412  1.0
  I  I5  2  0.2464  0.4986  0.5003  1.0
  I  I6  2  0.3487  0.9705  0.7501  1.0
]