data_LiOs2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.4
_cell_length_b   9.4
_cell_length_c   9.4
_cell_angle_alpha   17.06
_cell_angle_beta   17.06
_cell_angle_gamma   17.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiOs2Br
_chemical_formula_sum   'Li1 Os2 Br1'
_cell_volume   62.47
_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
  Li  Li1  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.0  0.0  0.99  1.0
  Os  Os3  1  0.0  0.0  0.81  1.0
  Br  Br0  1  0.0  0.0  0.9  1.0

data_LiOs2Br
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.83
_cell_length_b   2.79
_cell_length_c   9.4
_cell_angle_alpha   90.0
_cell_angle_beta   99.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiOs2Br
_chemical_formula_sum   'Li2 Os4 Br2'
_cell_volume   124.93
_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
  Li  Li0  2  0.0  0.0  0.0  1.0
  Os  Os1  2  -0.0  0.0  0.19  1.0
  Os  Os2  2  -0.0  0.0  0.01  1.0
  Br  Br3  2  -0.0  0.0  0.1  1.0

Li Os Os Br
Li Os Os Br 0 1 o o - 0 3 o o - 1 3 o o o 2 3 o o o 