data_Rb2TeI6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.28
_cell_length_b   8.28
_cell_length_c   12.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb2TeI6
_chemical_formula_sum   'Rb4 Te2 I12'
_cell_volume   832.87
_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
  Rb  Rb12  1  0.0  0.14  0.04  1.0
  Rb  Rb13  1  0.14  0.0  0.04  1.0
  Rb  Rb14  1  0.0  0.14  0.11  1.0
  Rb  Rb15  1  0.14  0.0  0.11  1.0
  Te  Te16  1  0.0  0.0  0.0  1.0
  Te  Te17  1  0.14  0.14  0.07  1.0
  I  I0  1  0.0  0.0  0.97  1.0
  I  I1  1  0.14  0.14  0.1  1.0
  I  I2  1  0.0  0.0  0.17  1.0
  I  I3  1  0.14  0.14  0.05  1.0
  I  I4  1  0.79  0.38  0.0  1.0
  I  I5  1  0.5  0.91  0.0  1.0
  I  I6  1  0.93  0.76  0.07  1.0
  I  I7  1  0.36  0.52  0.07  1.0
  I  I8  1  0.76  0.36  0.07  1.0
  I  I9  1  0.52  0.93  0.07  1.0
  I  I10  1  0.38  0.5  0.0  1.0
  I  I11  1  0.91  0.79  0.0  1.0

data_Rb2TeI6
_symmetry_space_group_name_H-M   P1
_cell_length_a   8.28
_cell_length_b   8.28
_cell_length_c   12.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb2TeI6
_chemical_formula_sum   'Rb4 Te2 I12'
_cell_volume   832.87
_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
  Rb  Rb0  1  0.0  0.14  0.04  1.0
  Rb  Rb1  1  0.0  0.14  0.11  1.0
  Rb  Rb2  1  0.14  0.0  0.04  1.0
  Rb  Rb3  1  0.14  0.0  0.11  1.0
  Te  Te4  1  0.0  0.0  0.0  1.0
  Te  Te5  1  0.14  0.14  0.07  1.0
  I  I6  1  0.0  0.0  0.17  1.0
  I  I7  1  0.0  0.0  0.97  1.0
  I  I8  1  0.14  0.14  0.05  1.0
  I  I9  1  0.14  0.14  0.1  1.0
  I  I10  1  0.36  0.52  0.07  1.0
  I  I11  1  0.38  0.5  0.0  1.0
  I  I12  1  0.5  0.91  0.0  1.0
  I  I13  1  0.52  0.93  0.07  1.0
  I  I14  1  0.76  0.36  0.07  1.0
  I  I15  1  0.79  0.38  0.0  1.0
  I  I16  1  0.91  0.79  0.0  1.0
  I  I17  1  0.93  0.76  0.07  1.0

Rb Rb Rb Rb Te Te I I I I I I I I I I I I
Rb Rb Rb Rb Te Te I I I I I I I I I I I I 0 2 o o o 1 3 o o o 2 8 o o o 3 8 o o o 4 6 o o - 5 9 o o o 5 7 o o o 10 14 o o o 11 15 o o o 12 17 o o o 13 16 o o o 