data_Sr2TeOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   4.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2TeOs
_chemical_formula_sum   'Sr2 Te1 Os1'
_cell_volume   111.41
_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  0.82  0.88  0.03  1.0
  Sr  Sr2  1  0.82  0.12  0.03  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0
  Os  Os0  1  0.64  0.0  0.0  1.0

data_Sr2TeOs
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.06
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Sr2TeOs
_chemical_formula_sum   'Sr2 Te1 Os1'
_cell_volume   111.47
_cell_formula_units_Z   1
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
  Sr  Sr0  2  0.03  0.12  0.82  1.0
  Te  Te1  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.0  0.0  0.64  1.0

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