data_Tl2OsAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.9
_cell_length_b   6.9
_cell_length_c   4.64
_cell_angle_alpha   108.74
_cell_angle_beta   108.74
_cell_angle_gamma   25.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2OsAu
_chemical_formula_sum   'Tl2 Os1 Au1'
_cell_volume   88.5
_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  0.33  0.0  0.15  1.0
  Tl  Tl3  1  0.62  0.0  0.06  1.0
  Os  Os1  1  0.21  0.0  0.29  1.0
  Au  Au0  1  0.72  0.0  0.46  1.0

data_Tl2OsAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   4.64
_cell_length_c   6.9
_cell_angle_alpha   108.74
_cell_angle_beta   102.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2OsAu
_chemical_formula_sum   'Tl2 Os1 Au1'
_cell_volume   88.5
_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  0.06  0.62  1.0
  Tl  Tl1  1  0.0  0.15  0.33  1.0
  Os  Os2  1  0.0  0.29  0.21  1.0
  Au  Au3  1  0.0  0.46  0.72  1.0

Tl Tl Os Au