data_TeOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.77
_cell_length_b   3.77
_cell_length_c   8.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeOs
_chemical_formula_sum   'Te2 Os2'
_cell_volume   107.96
_cell_formula_units_Z   2
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
  Te  Te2  1  0.89  0.09  0.29  1.0
  Te  Te3  1  0.0  0.18  0.47  1.0
  Os  Os0  1  0.89  0.09  0.13  1.0
  Os  Os1  1  0.0  0.18  0.63  1.0

data_TeOs
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.77
_cell_length_b   3.77
_cell_length_c   8.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TeOs
_chemical_formula_sum   'Te2 Os2'
_cell_volume   107.96
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Te  Te0  2  0.44  0.96  0.91  1.0
  Os  Os1  2  0.44  0.96  0.75  1.0

Te Te Os Os
Te Te Os Os 0 2 o o o 0 1 + o o 1 3 o o o 