data_TlOs2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.93
_cell_length_b   8.93
_cell_length_c   8.93
_cell_angle_alpha   19.6
_cell_angle_beta   19.6
_cell_angle_gamma   19.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlOs2Br
_chemical_formula_sum   'Tl1 Os2 Br1'
_cell_volume   70.2
_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
  Tl  Tl3  1  0.0  0.0  0.14  1.0
  Os  Os1  1  0.0  0.0  0.61  1.0
  Os  Os2  1  0.0  0.0  0.67  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_TlOs2Br
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.27
_cell_length_b   3.04
_cell_length_c   8.93
_cell_angle_alpha   90.0
_cell_angle_beta   101.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlOs2Br
_chemical_formula_sum   'Tl2 Os4 Br2'
_cell_volume   140.4
_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
  Tl  Tl0  2  -0.0  0.0  0.86  1.0
  Os  Os1  2  -0.0  0.0  0.39  1.0
  Os  Os2  2  0.0  0.0  0.33  1.0
  Br  Br3  2  0.0  0.0  0.0  1.0

Tl Os Os Br