data_SnGeSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76
_cell_length_b   5.76
_cell_length_c   3.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnGeSb2
_chemical_formula_sum   'Sn1 Ge1 Sb2'
_cell_volume   103.88
_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  0.32  0.0  0.0  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.66  0.35  0.66  1.0
  Sb  Sb2  1  0.66  0.65  0.66  1.0

data_SnGeSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   5.76
_cell_length_c   5.76
_cell_angle_alpha   109.56
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnGeSb2
_chemical_formula_sum   'Sn1 Ge1 Sb2'
_cell_volume   103.88
_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  0.32  0.0  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.66  0.66  0.35  1.0
  Sb  Sb3  1  0.66  0.66  0.65  1.0

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