data_RbBS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.26
_cell_length_b   12.1
_cell_length_c   5.88
_cell_angle_alpha   90.0
_cell_angle_beta   104.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbBS3
_chemical_formula_sum   'Rb4 B4 S12'
_cell_volume   499.76
_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  0.94  0.98  0.69  1.0
  Rb  Rb1  1  0.58  0.03  0.15  1.0
  Rb  Rb2  1  0.84  0.12  1.0  1.0
  Rb  Rb3  1  0.2  0.07  0.53  1.0
  B  B4  1  0.64  0.82  0.75  1.0
  B  B5  1  0.88  0.87  0.09  1.0
  B  B6  1  0.14  0.28  0.94  1.0
  B  B7  1  0.9  0.23  0.6  1.0
  S  S8  1  0.28  0.14  0.71  1.0
  S  S9  1  0.77  0.19  0.83  1.0
  S  S10  1  0.51  0.97  0.98  1.0
  S  S11  1  0.01  0.91  0.86  1.0
  S  S12  1  0.4  0.84  0.69  1.0
  S  S13  1  0.64  0.89  0.84  1.0
  S  S14  1  0.38  0.26  1.0  1.0
  S  S15  1  0.14  0.21  0.85  1.0
  S  S16  1  0.28  0.4  0.5  1.0
  S  S17  1  0.77  0.46  0.03  1.0
  S  S18  1  0.51  0.7  0.19  1.0
  S  S19  1  0.01  0.65  0.66  1.0

data_RbBS3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.88
_cell_length_b   7.26
_cell_length_c   12.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.55
_symmetry_Int_Tables_number   2
_chemical_formula_structural   RbBS3
_chemical_formula_sum   'Rb4 B4 S12'
_cell_volume   499.76
_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  0.19  0.81  0.02  1.0
  Rb  Rb1  2  0.35  0.55  0.93  1.0
  B  B2  2  0.25  0.51  0.18  1.0
  B  B3  2  0.41  0.25  0.77  1.0
  S  S4  2  0.16  0.89  0.35  1.0
  S  S5  2  0.31  0.62  0.6  1.0
  S  S6  2  0.35  0.01  0.79  1.0
  S  S7  2  0.36  0.88  0.09  1.0
  S  S8  2  0.48  0.38  0.14  1.0
  S  S9  2  0.5  0.25  0.84  1.0

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