data_SiTe2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11
_cell_length_b   3.58
_cell_length_c   8.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiTe2Os
_chemical_formula_sum   'Si1 Te2 Os1'
_cell_volume   89.88
_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
  Si  Si1  1  0.0  0.0  0.47  1.0
  Te  Te2  1  0.55  0.79  0.38  1.0
  Te  Te3  1  0.0  0.0  0.66  1.0
  Os  Os0  1  0.55  0.79  0.69  1.0

data_SiTe2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   3.58
_cell_length_c   8.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiTe2Os
_chemical_formula_sum   'Si1 Te2 Os1'
_cell_volume   89.88
_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
  Si  Si0  1  0.0  0.0  0.47  1.0
  Te  Te1  1  0.0  0.0  0.66  1.0
  Te  Te2  1  0.55  0.79  0.38  1.0
  Os  Os3  1  0.55  0.79  0.69  1.0

Si Te Te Os
Si Te Te Os 0 1 - - o 0 1 o - o 0 2 o o o 2 3 - - o 2 3 o - o 