data_Sn2GeTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   3.2
_cell_length_c   10.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2GeTe
_chemical_formula_sum   'Sn2 Ge1 Te1'
_cell_volume   106.19
_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  0.99  0.0  0.32  1.0
  Sn  Sn2  1  0.99  0.0  0.3  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.0  0.31  1.0

data_Sn2GeTe
_symmetry_space_group_name_H-M   Cmm2
_cell_length_a   3.99
_cell_length_b   5.01
_cell_length_c   10.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   35
_chemical_formula_structural   Sn2GeTe
_chemical_formula_sum   'Sn4 Ge2 Te2'
_cell_volume   212.39
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, z'
  7  '-x+1/2, y+1/2, z'
  8  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.68  1.0
  Sn  Sn1  2  0.0  0.0  0.7  1.0
  Ge  Ge2  2  0.0  0.0  0.0  1.0
  Te  Te3  2  0.0  0.0  0.69  1.0

Sn Sn Ge Te