data_LaOs2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15
_cell_length_b   3.15
_cell_length_c   7.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaOs2Br
_chemical_formula_sum   'La1 Os2 Br1'
_cell_volume   77.29
_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
  La  La1  1  0.0  0.0  0.9  1.0
  Os  Os2  1  0.57  0.57  0.18  1.0
  Os  Os3  1  0.57  0.57  0.62  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_LaOs2Br
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   7.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaOs2Br
_chemical_formula_sum   'La2 Os4 Br2'
_cell_volume   154.59
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  La  La0  2  0.0  0.0  0.9  1.0
  Os  Os1  2  0.07  0.5  0.18  1.0
  Os  Os2  2  0.07  0.5  0.62  1.0
  Br  Br3  2  0.0  0.0  0.0  1.0

La Os Os Br
La Os Os Br 0 3 o o + 0 1 o - + 0 1 - o + 0 1 - - + 0 2 o o o 0 2 o - o 0 2 - o o 0 2 - - o 1 3 o o o 1 3 o + o 1 3 + o o 1 3 + + o 1 1 + o o 1 1 o + o 1 2 o o o 2 3 o + + 2 3 + o + 2 3 + + + 2 2 + o o 2 2 o + o 
LaOs2Br crystallizes in the monoclinic Cm space group. La(1) is bonded in a single-bond geometry to four equivalent Os(2) and one Br(1) atom. There are a spread of La(1)-Os(2) bond distances ranging from 2.88-3.35 Å. The La(1)-Br(1) bond length is 0.78 Å. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a 4-coordinate geometry to one Os(2) and four equivalent Br(1) atoms. The Os(1)-Os(2) bond length is 3.48 Å. There are a spread of Os(1)-Br(1) bond distances ranging from 2.35-2.91 Å. In the second Os site, Os(2) is bonded in a 9-coordinate geometry to four equivalent La(1), one Os(1), and four equivalent Os(2) atoms. All Os(2)-Os(2) bond lengths are 3.15 Å. Br(1) is bonded in a single-bond geometry to one La(1) and four equivalent Os(1) atoms.