data_Sr2SbOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   6.17
_cell_length_c   6.17
_cell_angle_alpha   45.58
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2SbOs
_chemical_formula_sum   'Sr2 Sb1 Os1'
_cell_volume   123.49
_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  Sr2  1  0.27  0.0  0.23  1.0
  Sr  Sr3  1  0.0  0.0  0.47  1.0
  Sb  Sb1  1  0.0  0.0  0.89  1.0
  Os  Os0  1  0.27  0.0  0.16  1.0

data_Sr2SbOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.55
_cell_length_b   4.78
_cell_length_c   6.17
_cell_angle_alpha   112.79
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2SbOs
_chemical_formula_sum   'Sr2 Sb1 Os1'
_cell_volume   123.49
_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  0.47  0.47  1.0
  Sr  Sr1  1  0.73  0.23  0.23  1.0
  Sb  Sb2  1  0.0  0.89  0.89  1.0
  Os  Os3  1  0.73  0.16  0.16  1.0

Sr Sr Sb Os
Sr Sr Sb Os 0 3 o o o 0 1 o o o 0 2 o o - 1 3 o o o 1 2 o o o 2 3 o o + 