data_TlIrOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.69
_cell_length_b   7.4
_cell_length_c   2.91
_cell_angle_alpha   84.57
_cell_angle_beta   73.33
_cell_angle_gamma   22.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlIrOs
_chemical_formula_sum   'Tl1 Ir1 Os1'
_cell_volume   52.47
_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
  Tl  Tl2  1  0.43  0.53  0.68  1.0
  Ir  Ir0  1  0.43  0.53  0.41  1.0
  Os  Os1  1  0.43  0.53  0.97  1.0

data_TlIrOs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.85
_cell_length_b   14.52
_cell_length_c   2.91
_cell_angle_alpha   90.0
_cell_angle_beta   119.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlIrOs
_chemical_formula_sum   'Tl2 Ir2 Os2'
_cell_volume   104.94
_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  0.36  0.0  0.9  1.0
  Os  Os1  2  0.08  0.0  0.61  1.0
  Ir  Ir2  2  0.13  0.5  0.17  1.0

Tl Ir Os