data_Rb2Pd(IBr2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.47
_cell_length_b   7.47
_cell_length_c   7.47
_cell_angle_alpha   111.0
_cell_angle_beta   111.0
_cell_angle_gamma   106.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb2Pd(IBr2)2
_chemical_formula_sum   'Rb2 Pd1 I2 Br4'
_cell_volume   320.31
_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  Rb7  1  0.0  0.23  0.24  1.0
  Rb  Rb8  1  0.23  0.0  0.24  1.0
  Pd  Pd6  1  0.0  0.0  0.0  1.0
  I  I4  1  0.0  0.0  0.92  1.0
  I  I5  1  0.0  0.0  0.02  1.0
  Br  Br0  1  0.75  0.75  0.0  1.0
  Br  Br1  1  0.48  0.52  0.47  1.0
  Br  Br2  1  0.52  0.48  0.47  1.0
  Br  Br3  1  0.48  0.48  0.47  1.0

data_Rb2Pd(IBr2)2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.94
_cell_length_b   11.97
_cell_length_c   7.47
_cell_angle_alpha   90.0
_cell_angle_beta   126.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Rb2Pd(IBr2)2
_chemical_formula_sum   'Rb4 Pd2 I4 Br8'
_cell_volume   640.62
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.38  0.38  0.76  1.0
  Pd  Pd1  2  0.0  0.0  0.0  1.0
  I  I2  2  0.08  0.0  0.08  1.0
  I  I3  2  0.48  0.5  0.98  1.0
  Br  Br4  4  0.03  0.02  0.53  1.0
  Br  Br5  2  0.01  0.0  0.53  1.0
  Br  Br6  2  0.25  0.5  -0.0  1.0

Rb Rb Pd I I Br Br Br Br
Rb Rb Pd I I Br Br Br Br 0 4 o o o 0 2 o o o 1 4 o o o 1 2 o o o 2 4 o o o 2 3 o o - 2 5 - - o 4 5 - - o 6 8 o o o 7 8 o o o 