data_TlGeOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.26
_cell_length_b   4.26
_cell_length_c   3.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlGeOs
_chemical_formula_sum   'Tl1 Ge1 Os1'
_cell_volume   58.98
_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  0.0  0.46  0.87  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.13  0.23  0.0  1.0

data_TlGeOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.75
_cell_length_b   4.26
_cell_length_c   4.26
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlGeOs
_chemical_formula_sum   'Tl1 Ge1 Os1'
_cell_volume   58.98
_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  0.87  -0.0  0.46  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.0  0.13  0.23  1.0

Tl Ge Os
Tl Ge Os 0 2 o o + 1 2 o o o 