data_Os2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.3
_cell_length_b   8.3
_cell_length_c   8.3
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Os2Br
_chemical_formula_sum   'Os16 Br8'
_cell_volume   403.81
_cell_formula_units_Z   8
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
  Os  Os8  1  0.4  0.47  0.4  1.0
  Os  Os9  1  0.47  0.47  0.47  1.0
  Os  Os10  1  0.47  0.4  0.4  1.0
  Os  Os11  1  0.4  0.4  0.47  1.0
  Os  Os12  1  0.8  0.67  0.8  1.0
  Os  Os13  1  0.8  0.8  0.93  1.0
  Os  Os14  1  0.67  0.8  0.8  1.0
  Os  Os15  1  0.93  0.8  0.8  1.0
  Os  Os16  1  0.8  0.8  0.67  1.0
  Os  Os17  1  0.8  0.93  0.8  1.0
  Os  Os18  1  0.87  0.99  0.87  1.0
  Os  Os19  1  0.87  0.87  0.74  1.0
  Os  Os20  1  0.99  0.87  0.87  1.0
  Os  Os21  1  0.74  0.87  0.87  1.0
  Os  Os22  1  0.87  0.87  0.99  1.0
  Os  Os23  1  0.87  0.74  0.87  1.0
  Br  Br0  1  0.71  0.71  0.03  1.0
  Br  Br1  1  0.03  0.71  0.71  1.0
  Br  Br2  1  0.03  0.03  0.03  1.0
  Br  Br3  1  0.71  0.03  0.71  1.0
  Br  Br4  1  0.96  0.96  0.64  1.0
  Br  Br5  1  0.64  0.96  0.96  1.0
  Br  Br6  1  0.64  0.64  0.64  1.0
  Br  Br7  1  0.96  0.64  0.96  1.0

data_Os2Br
_symmetry_space_group_name_H-M   R3m
_cell_length_a   8.3
_cell_length_b   8.3
_cell_length_c   20.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Os2Br
_chemical_formula_sum   'Os48 Br24'
_cell_volume   1211.43
_cell_formula_units_Z   24
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Os  Os0  9  0.02  0.98  0.58  1.0
  Os  Os1  9  0.04  0.09  0.09  1.0
  Os  Os2  9  0.04  0.09  0.16  1.0
  Os  Os3  9  0.09  0.04  0.18  1.0
  Os  Os4  9  0.09  0.04  0.24  1.0
  Os  Os5  3  0.0  0.0  0.53  1.0
  Br  Br6  9  0.11  0.21  0.19  1.0
  Br  Br7  9  0.21  0.11  0.15  1.0
  Br  Br8  3  0.0  0.0  0.36  1.0
  Br  Br9  3  0.0  0.0  0.97  1.0

Os Os Os Os Os Os Os Os Os Os Os Os Os Os Os Os Br Br Br Br Br Br Br Br