data_[Cs2Rb2Ni2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Rb  0.8200  2.3500  1.6600
  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 [7.5919]
_cell_length_b [8.2166]
_cell_length_c [10.9751]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3155]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsRbNiI4]
_chemical_formula_sum '[Cs2 Rb2 Ni2 I8]'
_cell_volume [649.9477]
_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  0.2010  0.2500  0.9191  1.0
  Rb  Rb1  2  0.3330  0.7500  0.5440  1.0
  Ni  Ni2  2  0.0935  0.2500  0.2991  1.0
  I  I3  4  0.2606  0.0028  0.2406  1.0
  I  I4  2  0.1969  0.2500  0.5458  1.0
  I  I5  2  0.2346  0.7500  0.8631  1.0
]