data_[K1Rb1Tl2I4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Rb  0.8200  2.3500  1.6600
  Tl  1.6200  1.9000  1.3325
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.8315]
_cell_length_b [5.0996]
_cell_length_c [8.8397]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4478]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [KRb(TlI2)2]
_chemical_formula_sum '[K1 Rb1 Tl2 I4]'
_cell_volume [375.3990]
_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  0.5000  0.5000  1
  K  K1  1  0.5000  0.0000  0.5000  1
  Tl  Tl2  1  0.0000  0.0000  0.0000  1
  Tl  Tl3  1  0.5000  0.5000  0.0000  1
  I  I4  2  0.2544  0.5000  0.2461  1
  I  I5  2  0.2587  0.0000  0.7575  1
]