data_SnGe2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.33
_cell_length_b   4.33
_cell_length_c   6.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnGe2Sb
_chemical_formula_sum   'Sn1 Ge2 Sb1'
_cell_volume   97.07
_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
  Sn  Sn3  1  0.0  0.0  0.33  1.0
  Ge  Ge0  1  0.66  0.17  0.08  1.0
  Ge  Ge1  1  0.0  0.0  0.65  1.0
  Sb  Sb2  1  0.66  0.17  0.04  1.0

data_SnGe2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   4.33
_cell_length_c   6.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnGe2Sb
_chemical_formula_sum   'Sn1 Ge2 Sb1'
_cell_volume   97.07
_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
  Sn  Sn0  1  0.0  0.0  0.33  1.0
  Ge  Ge1  1  0.0  0.0  0.65  1.0
  Ge  Ge2  1  0.66  0.17  0.08  1.0
  Sb  Sb3  1  0.66  0.17  0.04  1.0

Sn Ge Ge Sb
Sn Ge Ge Sb 0 3 - o o 0 1 - o o 0 2 o o o 1 3 o o o 