data_[Rb2Tl2Ni2I8]
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
  Ni  1.9100  1.3500  0.7400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.6953]
_cell_length_b [8.0285]
_cell_length_c [10.3060]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4616]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbTlNiI4]
_chemical_formula_sum '[Rb2 Tl2 Ni2 I8]'
_cell_volume [600.3451]
_cell_formula_units_Z [2]
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  2  0.2094  0.2500  0.5471  1.0
  Tl  Tl1  2  0.2627  0.2500  0.0653  1.0
  Ni  Ni2  2  0.2342  0.7500  0.2939  1.0
  I  I3  4  0.0054  0.5043  0.2209  1.0
  I  I4  2  0.3523  0.7500  0.5584  1.0
  I  I5  2  0.4049  0.7500  0.1191  1.0
]