data_Rb6Cl4O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.09
_cell_length_b   9.09
_cell_length_c   9.09
_cell_angle_alpha   89.19
_cell_angle_beta   89.19
_cell_angle_gamma   89.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb6Cl4O
_chemical_formula_sum   'Rb12 Cl8 O2'
_cell_volume   751.26
_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  Rb10  1  0.82  0.32  0.57  1.0
  Rb  Rb11  1  0.18  0.05  0.4  1.0
  Rb  Rb12  1  0.8  0.0  0.91  1.0
  Rb  Rb13  1  0.64  0.27  0.4  1.0
  Rb  Rb14  1  0.64  0.36  0.91  1.0
  Rb  Rb15  1  0.43  0.36  0.06  1.0
  Rb  Rb16  1  0.57  0.64  0.91  1.0
  Rb  Rb17  1  0.36  0.64  0.06  1.0
  Rb  Rb18  1  0.36  0.73  0.57  1.0
  Rb  Rb19  1  0.2  1.0  0.06  1.0
  Rb  Rb20  1  0.82  0.95  0.57  1.0
  Rb  Rb21  1  0.18  0.68  0.4  1.0
  Cl  Cl0  1  0.61  0.31  0.65  1.0
  Cl  Cl1  1  0.0  0.0  0.99  1.0
  Cl  Cl2  1  0.61  0.76  0.31  1.0
  Cl  Cl3  1  0.0  0.45  0.65  1.0
  Cl  Cl4  1  1.0  0.55  0.31  1.0
  Cl  Cl5  1  0.39  0.24  0.65  1.0
  Cl  Cl6  1  0.0  0.0  0.98  1.0
  Cl  Cl7  1  0.39  0.69  0.31  1.0
  O  O8  1  0.0  0.0  0.98  1.0
  O  O9  1  0.0  0.0  0.0  1.0

data_Rb6Cl4O
_symmetry_space_group_name_H-M   P1
_cell_length_a   9.09
_cell_length_b   9.09
_cell_length_c   9.09
_cell_angle_alpha   89.19
_cell_angle_beta   89.19
_cell_angle_gamma   89.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb6Cl4O
_chemical_formula_sum   'Rb12 Cl8 O2'
_cell_volume   751.26
_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  0.8  0.94  1.0
  Rb  Rb1  1  0.05  0.18  0.43  1.0
  Rb  Rb2  1  0.27  0.64  0.43  1.0
  Rb  Rb3  1  0.32  0.82  0.6  1.0
  Rb  Rb4  1  0.36  0.64  0.94  1.0
  Rb  Rb5  1  0.36  0.43  0.09  1.0
  Rb  Rb6  1  0.64  0.57  0.94  1.0
  Rb  Rb7  1  0.64  0.36  0.09  1.0
  Rb  Rb8  1  0.68  0.18  0.43  1.0
  Rb  Rb9  1  0.73  0.36  0.6  1.0
  Rb  Rb10  1  0.95  0.82  0.6  1.0
  Rb  Rb11  1  1.0  0.2  0.09  1.0
  Cl  Cl12  1  0.0  0.0  0.01  1.0
  Cl  Cl13  1  0.0  0.0  0.02  1.0
  Cl  Cl14  1  0.24  0.39  0.69  1.0
  Cl  Cl15  1  0.31  0.61  0.69  1.0
  Cl  Cl16  1  0.45  0.0  0.69  1.0
  Cl  Cl17  1  0.55  1.0  0.35  1.0
  Cl  Cl18  1  0.69  0.39  0.35  1.0
  Cl  Cl19  1  0.76  0.61  0.35  1.0
  O  O20  1  0.0  0.0  0.0  1.0
  O  O21  1  0.0  0.0  0.02  1.0

Rb Rb Rb Rb Rb Rb Rb Rb Rb Rb Rb Rb Cl Cl Cl Cl Cl Cl Cl Cl O O 0 3 o o o 0 12 o o o 0 15 + o o 0 10 o - o 1 21 o o o 1 11 o - o 1 10 - - o 1 19 o - o 1 9 o - o 1 8 o - o 1 17 o o o 2 21 + o + 2 20 + o o 2 18 + o o 2 13 + o o 2 10 o - o 3 12 o o o 3 10 o - o 4 12 o o o 4 5 o o + 4 6 o o o 5 7 o o o 6 7 o o + 7 19 o o o 8 11 o o o 8 19 o o o 9 21 o + o 9 20 o + - 9 18 o + - 9 13 o + - 10 14 o o o 10 12 o + o 11 16 - o o 11 19 o o o 12 17 o o o 13 20 o o o 13 21 o o + 14 19 o o o 18 20 o o o 