data_Sn2GeTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.2
_cell_length_b   6.2
_cell_length_c   6.2
_cell_angle_alpha   137.71
_cell_angle_beta   137.71
_cell_angle_gamma   61.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2GeTe
_chemical_formula_sum   'Sn2 Ge1 Te1'
_cell_volume   106.55
_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  0.24  0.0  0.66  1.0
  Sn  Sn2  1  0.0  0.0  0.33  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.24  0.66  1.0

data_Sn2GeTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   6.2
_cell_angle_alpha   111.15
_cell_angle_beta   111.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2GeTe
_chemical_formula_sum   'Sn2 Ge1 Te1'
_cell_volume   106.55
_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  0.33  0.33  0.33  1.0
  Sn  Sn1  1  0.66  0.43  0.43  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.43  0.66  0.43  1.0

Sn Sn Ge Te
Sn Sn Ge Te 0 1 o o o 0 3 o o o 1 3 o o o 1 2 o o o 