data_SiTeOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94
_cell_length_b   2.94
_cell_length_c   8.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiTeOs2
_chemical_formula_sum   'Si1 Te1 Os2'
_cell_volume   66.8
_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  Si2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.0  0.42  1.0
  Os  Os0  1  0.49  0.0  0.0  1.0
  Os  Os1  1  0.49  0.0  0.84  1.0

data_SiTeOs2
_symmetry_space_group_name_H-M   Cmm2
_cell_length_a   2.94
_cell_length_b   5.15
_cell_length_c   8.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   35
_chemical_formula_structural   SiTeOs2
_chemical_formula_sum   'Si2 Te2 Os4'
_cell_volume   133.63
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, z'
  7  '-x+1/2, y+1/2, z'
  8  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Te  Te1  2  0.0  0.0  0.42  1.0
  Os  Os2  2  0.0  0.5  0.0  1.0
  Os  Os3  2  0.0  0.5  0.84  1.0

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