data_SnGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17
_cell_length_b   6.17
_cell_length_c   7.65
_cell_angle_alpha   109.24
_cell_angle_beta   109.24
_cell_angle_gamma   31.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnGe
_chemical_formula_sum   'Sn3 Ge3'
_cell_volume   141.47
_cell_formula_units_Z   3
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  0.33  0.0  0.58  1.0
  Sn  Sn4  1  0.72  0.0  0.15  1.0
  Sn  Sn5  1  1.0  0.0  0.7  1.0
  Ge  Ge0  1  0.76  0.0  0.11  1.0
  Ge  Ge1  1  0.25  0.0  0.15  1.0
  Ge  Ge2  1  0.13  0.0  0.66  1.0

data_SnGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   6.17
_cell_length_c   7.65
_cell_angle_alpha   109.24
_cell_angle_beta   90.0
_cell_angle_gamma   105.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnGe
_chemical_formula_sum   'Sn3 Ge3'
_cell_volume   141.47
_cell_formula_units_Z   3
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  0.3  1.0
  Sn  Sn1  1  0.0  0.28  0.85  1.0
  Sn  Sn2  1  0.0  0.67  0.42  1.0
  Ge  Ge3  1  0.0  0.24  0.89  1.0
  Ge  Ge4  1  0.0  0.75  0.85  1.0
  Ge  Ge5  1  0.0  0.87  0.34  1.0

Sn Sn Sn Ge Ge Ge