data_RbCOF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74
_cell_length_b   7.44
_cell_length_c   9.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbCOF3
_chemical_formula_sum   'Rb4 C4 O4 F12'
_cell_volume   385.02
_cell_formula_units_Z   4
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  0.27  0.89  0.61  1.0
  Rb  Rb1  1  0.45  0.55  0.4  1.0
  Rb  Rb2  1  0.47  0.17  0.89  1.0
  Rb  Rb3  1  0.25  0.27  0.12  1.0
  C  C4  1  0.18  0.51  0.6  1.0
  C  C5  1  0.54  0.92  0.41  1.0
  C  C6  1  0.55  0.23  0.91  1.0
  C  C7  1  0.16  0.21  0.11  1.0
  O  O8  1  0.18  0.22  0.73  1.0
  O  O9  1  0.54  0.22  0.28  1.0
  O  O10  1  0.55  0.94  0.77  1.0
  O  O11  1  0.17  0.5  0.24  1.0
  F  F12  1  0.35  0.44  0.55  1.0
  F  F13  1  0.36  1.0  0.46  1.0
  F  F14  1  0.38  0.16  0.95  1.0
  F  F15  1  0.34  0.28  0.06  1.0
  F  F16  1  0.47  0.2  0.74  1.0
  F  F17  1  0.25  0.23  0.28  1.0
  F  F18  1  0.26  0.92  0.77  1.0
  F  F19  1  0.46  0.51  0.24  1.0
  F  F20  1  0.34  0.87  0.86  1.0
  F  F21  1  0.37  0.56  0.15  1.0
  F  F22  1  0.39  0.59  0.65  1.0
  F  F23  1  0.33  0.85  0.37  1.0

data_RbCOF3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.74
_cell_length_b   7.44
_cell_length_c   9.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   RbCOF3
_chemical_formula_sum   'Rb4 C4 O4 F12'
_cell_volume   385.02
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.09  0.33  0.39  1.0
  Rb  Rb1  2  0.11  0.95  0.89  1.0
  C  C2  2  0.18  0.71  0.41  1.0
  C  C3  2  0.2  0.01  0.9  1.0
  O  O4  2  0.18  0.0  0.27  1.0
  O  O5  2  0.19  0.72  0.77  1.0
  F  F6  2  0.01  0.78  0.45  1.0
  F  F7  2  0.01  0.35  0.15  1.0
  F  F8  2  0.02  0.94  0.95  1.0
  F  F9  2  0.03  0.37  0.64  1.0
  F  F10  2  0.1  0.3  0.24  1.0
  F  F11  2  0.11  0.99  0.73  1.0

Rb Rb Rb Rb C C C C O O O O F F F F F F F F F F F F
Rb Rb Rb Rb C C C C O O O O F F F F F F F F F F F F 0 18 o o o 0 13 o o o 1 12 o o o 1 19 o o o 2 14 o o o 2 6 o o o 2 16 o o o 3 7 o o o 3 15 o o o 3 17 o o o 4 12 o o o 4 22 o o o 5 23 o o o 5 13 o o o 6 16 o o o 7 17 o o o 8 16 o o o 9 17 o o o 10 18 o o o 10 20 o o o 11 21 o o o 11 19 o o o 12 22 o o o 13 23 o o o 18 20 o o o 19 21 o o o 