data_Os3Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   5.3
_cell_angle_alpha   149.12
_cell_angle_beta   65.32
_cell_angle_gamma   124.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Os3Br
_chemical_formula_sum   'Os3 Br1'
_cell_volume   62.74
_cell_formula_units_Z   1
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  Os1  1  0.0  0.46  0.08  1.0
  Os  Os2  1  0.41  0.41  0.26  1.0
  Os  Os3  1  0.0  0.06  0.75  1.0
  Br  Br0  1  0.0  0.0  0.72  1.0

data_Os3Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.98
_cell_length_c   5.3
_cell_angle_alpha   118.0
_cell_angle_beta   105.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Os3Br
_chemical_formula_sum   'Os3 Br1'
_cell_volume   62.74
_cell_formula_units_Z   1
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  Os0  1  0.06  0.31  0.31  1.0
  Os  Os1  1  0.46  0.39  0.39  1.0
  Os  Os2  1  0.99  0.14  0.73  1.0
  Br  Br3  1  0.0  0.28  0.28  1.0

Os Os Os Br