data_[Rb1Tl2I1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Tl  1.6200  1.9000  1.3325
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.7214]
_cell_length_b [5.3100]
_cell_length_c [8.0444]
_cell_angle_alpha [90.8788]
_cell_angle_beta [101.2866]
_cell_angle_gamma [91.7681]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [RbTl2IO8]
_chemical_formula_sum '[Rb1 Tl2 I1 O8]'
_cell_volume [197.6371]
_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  0.5000  0.0000  0.5000  1
  Tl  Tl1  2  0.3809  0.5000  0.8008  1
  I  I2  1  0.0000  0.0000  0.0000  1
  O  O3  2  0.1403  0.1309  0.8070  1
  O  O4  2  0.2472  0.7064  0.0145  1
  O  O5  2  0.2694  0.1800  0.1689  1
  O  O6  2  0.3567  0.4953  0.5194  1
]