data_Sr2SiSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79
_cell_length_b   5.79
_cell_length_c   5.79
_cell_angle_alpha   127.18
_cell_angle_beta   127.18
_cell_angle_gamma   77.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2SiSb
_chemical_formula_sum   'Sr2 Si1 Sb1'
_cell_volume   119.38
_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  0.58  0.0  0.25  1.0
  Sr  Sr3  1  0.0  0.58  0.25  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Sb  Sb0  1  0.0  0.0  0.5  1.0

data_Sr2SiSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.28
_cell_length_b   7.28
_cell_length_c   5.79
_cell_angle_alpha   90.0
_cell_angle_beta   128.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2SiSb
_chemical_formula_sum   'Sr4 Si2 Sb2'
_cell_volume   238.75
_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  4  0.21  0.79  0.68  1.0
  Si  Si1  2  0.0  0.0  0.0  1.0
  Sb  Sb2  2  0.0  0.0  0.5  1.0

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