data_Os5Br4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.94
_cell_length_b   8.94
_cell_length_c   5.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Os5Br4
_chemical_formula_sum   'Os10 Br8'
_cell_volume   347.22
_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
  Os  Os8  1  0.48  0.3  0.76  1.0
  Os  Os9  1  0.97  0.0  0.76  1.0
  Os  Os10  1  0.01  0.44  0.76  1.0
  Os  Os11  1  0.99  0.44  0.25  1.0
  Os  Os12  1  0.97  0.0  0.25  1.0
  Os  Os13  1  0.52  0.3  0.25  1.0
  Os  Os14  1  0.0  0.16  0.51  1.0
  Os  Os15  1  0.47  0.58  0.0  1.0
  Os  Os16  1  0.47  0.58  0.51  1.0
  Os  Os17  1  0.0  0.16  0.0  1.0
  Br  Br0  1  0.0  0.0  0.51  1.0
  Br  Br1  1  0.0  0.0  0.0  1.0
  Br  Br2  1  0.31  0.28  0.76  1.0
  Br  Br3  1  0.31  0.0  0.76  1.0
  Br  Br4  1  0.85  0.46  0.76  1.0
  Br  Br5  1  0.15  0.46  0.25  1.0
  Br  Br6  1  0.63  0.0  0.25  1.0
  Br  Br7  1  0.69  0.28  0.25  1.0

data_Os5Br4
_symmetry_space_group_name_H-M   Pm
_cell_length_a   8.94
_cell_length_b   5.02
_cell_length_c   8.94
_cell_angle_alpha   90.0
_cell_angle_beta   120.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Os5Br4
_chemical_formula_sum   'Os10 Br8'
_cell_volume   347.22
_cell_formula_units_Z   2
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
  Os  Os0  2  0.0  0.25  0.16  1.0
  Os  Os1  2  0.47  0.25  0.58  1.0
  Os  Os2  1  0.01  0.0  0.44  1.0
  Os  Os3  1  0.48  0.0  0.3  1.0
  Os  Os4  1  0.52  0.5  0.3  1.0
  Os  Os5  1  0.97  0.5  0.0  1.0
  Os  Os6  1  0.97  0.0  0.0  1.0
  Os  Os7  1  0.99  0.5  0.44  1.0
  Br  Br8  2  0.0  0.25  0.0  1.0
  Br  Br9  1  0.15  0.5  0.46  1.0
  Br  Br10  1  0.31  0.0  0.0  1.0
  Br  Br11  1  0.31  0.0  0.28  1.0
  Br  Br12  1  0.63  0.5  0.0  1.0
  Br  Br13  1  0.69  0.5  0.28  1.0
  Br  Br14  1  0.85  0.0  0.46  1.0

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