data_Sn2GeSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.48
_cell_length_b   6.48
_cell_length_c   6.48
_cell_angle_alpha   150.05
_cell_angle_beta   130.35
_cell_angle_gamma   59.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2GeSb
_chemical_formula_sum   'Sn2 Ge1 Sb1'
_cell_volume   102.59
_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  Sn2  1  0.0  0.72  0.11  1.0
  Sn  Sn3  1  0.67  0.0  0.53  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.0  0.0  0.64  1.0

data_Sn2GeSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   5.44
_cell_length_c   6.48
_cell_angle_alpha   114.83
_cell_angle_beta   104.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2GeSb
_chemical_formula_sum   'Sn2 Ge1 Sb1'
_cell_volume   102.59
_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  0.15  0.47  0.15  1.0
  Sn  Sn1  1  0.89  0.61  0.61  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.36  0.36  0.36  1.0

Sn Sn Ge Sb