data_[Cs2Tl2Ni2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [7.3548]
_cell_length_b [8.1941]
_cell_length_c [10.7737]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2738]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsTlNiI4]
_chemical_formula_sum '[Cs2 Tl2 Ni2 I8]'
_cell_volume [620.0029]
_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
[
  Cs  Cs0  2  0.1930  0.2500  0.9251  1.0
  Tl  Tl1  2  0.3329  0.7500  0.5423  1.0
  Ni  Ni2  2  0.0941  0.2500  0.3079  1.0
  I  I3  4  0.2774  0.0027  0.2566  1.0
  I  I4  2  0.1835  0.2500  0.5560  1.0
  I  I5  2  0.2317  0.7500  0.8660  1.0
]