data_[Rb1Li1I2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Li  0.9800  1.4500  0.9000
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.1031]
_cell_length_b [8.3862]
_cell_length_c [9.1507]
_cell_angle_alpha [68.5654]
_cell_angle_beta [82.9529]
_cell_angle_gamma [70.3116]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [RbLi(IBr3)2]
_chemical_formula_sum '[Rb1 Li1 I2 Br6]'
_cell_volume [410.4701]
_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  0.4911  0.4784  0.5253  1.0
  Li  Li1  1  0.0923  0.8641  0.0182  1.0
  I  I2  1  0.1410  0.2611  0.2355  1.0
  I  I3  1  0.8283  0.7388  0.7912  1.0
  Br  Br4  1  0.2885  0.9242  0.2218  1.0
  Br  Br5  1  0.3245  0.7434  0.8012  1.0
  Br  Br6  1  0.6396  0.2610  0.2461  1.0
  Br  Br7  1  0.7150  0.0490  0.8585  1.0
  Br  Br8  1  0.9742  0.4241  0.7390  1.0
  Br  Br9  1  0.9933  0.5929  0.2607  1.0
]