data_Sr2Sb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.33
_cell_length_b   9.33
_cell_length_c   9.33
_cell_angle_alpha   30.5
_cell_angle_beta   30.5
_cell_angle_gamma   30.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2Sb3
_chemical_formula_sum   'Sr2 Sb3'
_cell_volume   185.47
_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  Sr3  1  0.0  0.0  0.61  1.0
  Sr  Sr4  1  0.0  0.0  0.06  1.0
  Sb  Sb0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.0  0.0  0.78  1.0
  Sb  Sb2  1  0.0  0.0  0.88  1.0

data_Sr2Sb3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.5
_cell_length_b   4.91
_cell_length_c   9.33
_cell_angle_alpha   90.0
_cell_angle_beta   107.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2Sb3
_chemical_formula_sum   'Sr4 Sb6'
_cell_volume   370.94
_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+1/2, y+1/2, z'
  4  '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
  Sr  Sr0  2  0.0  0.0  0.39  1.0
  Sr  Sr1  2  0.0  0.0  0.94  1.0
  Sb  Sb2  2  0.0  0.0  0.0  1.0
  Sb  Sb3  2  0.0  0.0  0.12  1.0
  Sb  Sb4  2  0.0  0.0  0.22  1.0

Sr Sr Sb Sb Sb
Sr Sr Sb Sb Sb 0 3 o o o 1 2 o o o 2 4 o o - 3 4 o o o 