data_Rb2PtI6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.98
_cell_length_b   7.98
_cell_length_c   7.98
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb2PtI6
_chemical_formula_sum   'Rb2 Pt1 I6'
_cell_volume   358.9
_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  0.82  0.82  0.82  1.0
  Rb  Rb8  1  0.46  0.46  0.46  1.0
  Pt  Pt6  1  0.0  0.0  0.0  1.0
  I  I0  1  0.64  0.64  0.7  1.0
  I  I1  1  0.64  0.64  0.58  1.0
  I  I2  1  0.7  0.64  0.64  1.0
  I  I3  1  0.64  0.7  0.64  1.0
  I  I4  1  0.58  0.64  0.64  1.0
  I  I5  1  0.64  0.58  0.64  1.0

data_Rb2PtI6
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.98
_cell_length_b   7.98
_cell_length_c   19.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Rb2PtI6
_chemical_formula_sum   'Rb6 Pt3 I18'
_cell_volume   1076.69
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.18  1.0
  Rb  Rb1  3  0.0  0.0  0.54  1.0
  Pt  Pt2  3  0.0  0.0  0.0  1.0
  I  I3  9  0.02  0.04  0.34  1.0
  I  I4  9  0.04  0.02  0.38  1.0

Rb Rb Pt I I I I I I
Rb Rb Pt I I I I I I 0 6 o o o 0 5 o o o 0 3 o o o 0 2 + + + 1 8 o o o 1 7 o o o 1 4 o o o 1 2 + o o 1 2 o + o 1 2 o o + 2 8 - - o 2 8 - o - 2 8 o - - 2 7 - - o 2 7 - o - 2 7 o - - 2 6 - - o 2 6 - o - 2 6 o - - 2 5 - - o 2 5 - o - 2 5 o - - 2 4 - - o 2 4 - o - 2 4 o - - 2 3 - - o 2 3 - o - 2 3 o - - 3 6 o o o 3 5 o o o 4 8 o o o 4 7 o o o 5 6 o o o 7 8 o o o 