data_Sn5Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.44
_cell_length_b   6.44
_cell_length_c   7.88
_cell_angle_alpha   106.35
_cell_angle_beta   106.35
_cell_angle_gamma   30.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn5Ge
_chemical_formula_sum   'Sn5 Ge1'
_cell_volume   157.34
_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  Sn1  1  0.5  0.0  0.42  1.0
  Sn  Sn2  1  0.67  0.0  0.14  1.0
  Sn  Sn3  1  0.29  0.0  0.0  1.0
  Sn  Sn4  1  0.26  0.0  0.65  1.0
  Sn  Sn5  1  0.75  0.0  0.14  1.0
  Ge  Ge0  1  0.43  0.0  0.01  1.0

data_Sn5Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   6.44
_cell_length_c   7.88
_cell_angle_alpha   106.35
_cell_angle_beta   90.0
_cell_angle_gamma   105.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn5Ge
_chemical_formula_sum   'Sn5 Ge1'
_cell_volume   157.34
_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  0.25  0.86  1.0
  Sn  Sn1  1  0.0  0.33  0.86  1.0
  Sn  Sn2  1  0.0  0.5  0.58  1.0
  Sn  Sn3  1  0.0  0.71  1.0  1.0
  Sn  Sn4  1  0.0  0.74  0.35  1.0
  Ge  Ge5  1  0.0  0.57  0.99  1.0

Sn Sn Sn Sn Sn Ge