data_TlCdOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38
_cell_length_b   4.38
_cell_length_c   7.08
_cell_angle_alpha   101.15
_cell_angle_beta   101.15
_cell_angle_gamma   38.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCdOs2
_chemical_formula_sum   'Tl1 Cd1 Os2'
_cell_volume   82.46
_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  0.4  0.0  0.65  1.0
  Cd  Cd0  1  0.9  0.0  0.45  1.0
  Os  Os1  1  0.63  0.0  0.57  1.0
  Os  Os2  1  0.86  0.0  0.67  1.0

data_TlCdOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.38
_cell_length_c   7.08
_cell_angle_alpha   101.15
_cell_angle_beta   90.0
_cell_angle_gamma   109.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCdOs2
_chemical_formula_sum   'Tl1 Cd1 Os2'
_cell_volume   82.46
_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  0.0  0.6  0.35  1.0
  Cd  Cd1  1  0.0  0.1  0.55  1.0
  Os  Os2  1  0.0  0.14  0.33  1.0
  Os  Os3  1  0.0  0.37  0.43  1.0

Tl Cd Os Os