data_SrTe2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.17
_cell_length_c   5.67
_cell_angle_alpha   90.0
_cell_angle_beta   105.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTe2Os
_chemical_formula_sum   'Sr1 Te2 Os1'
_cell_volume   111.07
_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
  Sr  Sr1  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.48  0.09  0.82  1.0
  Te  Te3  1  0.84  0.09  0.64  1.0
  Os  Os0  1  0.66  0.0  0.73  1.0

data_SrTe2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.17
_cell_length_b   4.88
_cell_length_c   5.67
_cell_angle_alpha   105.91
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTe2Os
_chemical_formula_sum   'Sr1 Te2 Os1'
_cell_volume   111.07
_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
  Sr  Sr0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.91  0.16  0.36  1.0
  Te  Te2  1  0.91  0.52  0.18  1.0
  Os  Os3  1  0.0  0.34  0.27  1.0

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