data_Rb3Os2Br9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.47
_cell_length_b   7.47
_cell_length_c   18.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb3Os2Br9
_chemical_formula_sum   'Rb6 Os4 Br18'
_cell_volume   875.63
_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  Rb22  1  0.73  0.16  0.22  1.0
  Rb  Rb23  1  0.0  0.0  0.53  1.0
  Rb  Rb24  1  0.73  0.16  0.85  1.0
  Rb  Rb25  1  0.0  0.31  0.29  1.0
  Rb  Rb26  1  0.0  0.0  0.6  1.0
  Rb  Rb27  1  0.0  0.31  0.92  1.0
  Os  Os18  1  0.0  0.31  0.18  1.0
  Os  Os19  1  0.0  0.31  0.89  1.0
  Os  Os20  1  0.73  0.16  0.25  1.0
  Os  Os21  1  0.73  0.16  0.96  1.0
  Br  Br0  1  0.0  0.27  0.7  1.0
  Br  Br1  1  0.23  0.33  0.7  1.0
  Br  Br2  1  0.77  0.33  0.7  1.0
  Br  Br3  1  0.14  0.23  0.53  1.0
  Br  Br4  1  0.86  0.23  0.53  1.0
  Br  Br5  1  0.0  0.46  0.53  1.0
  Br  Br6  1  0.0  0.27  0.37  1.0
  Br  Br7  1  0.23  0.33  0.37  1.0
  Br  Br8  1  0.77  0.33  0.37  1.0
  Br  Br9  1  0.97  0.14  0.77  1.0
  Br  Br10  1  0.5  0.14  0.77  1.0
  Br  Br11  1  0.73  0.19  0.77  1.0
  Br  Br12  1  0.73  0.0  0.6  1.0
  Br  Br13  1  0.87  0.23  0.6  1.0
  Br  Br14  1  0.6  0.23  0.6  1.0
  Br  Br15  1  0.97  0.14  0.44  1.0
  Br  Br16  1  0.5  0.14  0.44  1.0
  Br  Br17  1  0.73  0.19  0.44  1.0

data_Rb3Os2Br9
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.47
_cell_length_b   7.47
_cell_length_c   18.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb3Os2Br9
_chemical_formula_sum   'Rb6 Os4 Br18'
_cell_volume   875.63
_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  0.0  0.53  1.0
  Rb  Rb1  1  0.0  0.0  0.6  1.0
  Rb  Rb2  1  0.0  0.31  0.29  1.0
  Rb  Rb3  1  0.0  0.31  0.92  1.0
  Rb  Rb4  1  0.73  0.16  0.22  1.0
  Rb  Rb5  1  0.73  0.16  0.85  1.0
  Os  Os6  1  0.0  0.31  0.18  1.0
  Os  Os7  1  0.0  0.31  0.89  1.0
  Os  Os8  1  0.73  0.16  0.25  1.0
  Os  Os9  1  0.73  0.16  0.96  1.0
  Br  Br10  1  0.0  0.27  0.37  1.0
  Br  Br11  1  0.0  0.27  0.7  1.0
  Br  Br12  1  0.0  0.46  0.53  1.0
  Br  Br13  1  0.14  0.23  0.53  1.0
  Br  Br14  1  0.23  0.33  0.37  1.0
  Br  Br15  1  0.23  0.33  0.7  1.0
  Br  Br16  1  0.5  0.14  0.44  1.0
  Br  Br17  1  0.5  0.14  0.77  1.0
  Br  Br18  1  0.6  0.23  0.6  1.0
  Br  Br19  1  0.73  0.0  0.6  1.0
  Br  Br20  1  0.73  0.19  0.44  1.0
  Br  Br21  1  0.73  0.19  0.77  1.0
  Br  Br22  1  0.77  0.33  0.37  1.0
  Br  Br23  1  0.77  0.33  0.7  1.0
  Br  Br24  1  0.86  0.23  0.53  1.0
  Br  Br25  1  0.87  0.23  0.6  1.0
  Br  Br26  1  0.97  0.14  0.44  1.0
  Br  Br27  1  0.97  0.14  0.77  1.0

Rb Rb Rb Rb Rb Rb Os Os Os Os Br Br Br Br Br Br Br Br Br Br Br Br Br Br Br Br Br Br
Rb Rb Rb Rb Rb Rb Os Os Os Os Br Br Br Br Br Br Br Br Br Br Br Br Br Br Br Br Br Br 0 8 o o o 0 6 + o o 1 13 o o o 1 4 o o o 2 21 o o o 2 9 o o o 3 16 o o o 3 6 o o o 5 7 o o o 5 9 - o o 6 8 - o o 7 9 - o o 10 19 - o o 10 11 o o o 12 21 o o o 12 24 o o o 14 23 o o o 14 15 + o o 14 24 o o o 16 25 - o o 16 17 o o o 18 27 o o o 20 21 o o o 22 23 o o o 22 24 o o o 23 24 o o o 26 27 o o o 