data_Tl2CdOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   3.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2CdOs
_chemical_formula_sum   'Tl2 Cd1 Os1'
_cell_volume   84.4
_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  0.77  0.15  0.61  1.0
  Tl  Tl3  1  0.77  0.85  0.61  1.0
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.54  0.0  0.0  1.0

data_Tl2CdOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   92.5
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2CdOs
_chemical_formula_sum   'Tl2 Cd1 Os1'
_cell_volume   84.4
_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  Tl0  1  0.61  0.77  0.15  1.0
  Tl  Tl1  1  0.61  0.77  0.85  1.0
  Cd  Cd2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  -0.0  0.54  0.0  1.0

Tl Tl Cd Os
Tl Tl Cd Os 0 3 o o + 0 2 + o + 0 1 o - o 1 3 o + + 1 2 + + + 