data_CdOsBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.76
_cell_length_b   9.76
_cell_length_c   9.76
_cell_angle_alpha   22.44
_cell_angle_beta   22.44
_cell_angle_gamma   22.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdOsBr2
_chemical_formula_sum   'Cd1 Os1 Br2'
_cell_volume   118.78
_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
  Cd  Cd2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.0  0.26  1.0
  Br  Br0  1  0.0  0.0  0.49  1.0
  Br  Br1  1  0.0  0.0  0.04  1.0

data_CdOsBr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.58
_cell_length_b   3.8
_cell_length_c   9.76
_cell_angle_alpha   90.0
_cell_angle_beta   102.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdOsBr2
_chemical_formula_sum   'Cd2 Os2 Br4'
_cell_volume   237.57
_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
  Cd  Cd0  2  0.0  0.0  0.0  1.0
  Os  Os1  2  -0.0  0.0  0.74  1.0
  Br  Br2  2  -0.0  0.0  0.51  1.0
  Br  Br3  2  -0.0  0.0  0.96  1.0

Cd Os Br Br
Cd Os Br Br 0 3 o o o 0 1 o o o 1 3 o o o 1 2 o o o 