data_TlAg2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   2.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlAg2Os
_chemical_formula_sum   'Tl1 Ag2 Os1'
_cell_volume   72.76
_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  0.83  0.0  0.0  1.0
  Ag  Ag0  1  0.41  0.75  0.43  1.0
  Ag  Ag1  1  0.41  0.25  0.43  1.0
  Os  Os2  1  0.0  0.0  0.0  1.0

data_TlAg2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   5.32
_cell_length_c   5.32
_cell_angle_alpha   115.77
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlAg2Os
_chemical_formula_sum   'Tl1 Ag2 Os1'
_cell_volume   72.76
_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  0.83  0.0  1.0
  Ag  Ag1  1  0.43  0.41  0.25  1.0
  Ag  Ag2  1  0.43  0.41  0.75  1.0
  Os  Os3  1  0.0  0.0  0.0  1.0

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