data_[Rb1Mn1Tl2I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Mn  1.5500  1.4000  0.6483
  Tl  1.6200  1.9000  1.3325
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.7055]
_cell_length_b [8.1820]
_cell_length_c [8.4699]
_cell_angle_alpha [70.5360]
_cell_angle_beta [69.1041]
_cell_angle_gamma [77.7729]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [RbMn(TlI3)2]
_chemical_formula_sum '[Rb1 Mn1 Tl2 I6]'
_cell_volume [467.7345]
_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  0.7879  0.8085  0.6534  1.0
  Mn  Mn1  1  0.9328  0.4281  0.2830  1.0
  Tl  Tl2  1  0.0203  0.0092  0.9756  1.0
  Tl  Tl3  1  0.3610  0.4307  0.6214  1.0
  I  I4  1  0.1510  0.6464  0.2787  1.0
  I  I5  1  0.2347  0.2629  0.0959  1.0
  I  I6  1  0.2932  0.8288  0.6512  1.0
  I  I7  1  0.7061  0.7039  0.1527  1.0
  I  I8  1  0.7073  0.2121  0.2979  1.0
  I  I9  1  0.8210  0.3310  0.6518  1.0
]