data_GaSn2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   3.39
_cell_angle_alpha   92.7
_cell_angle_beta   92.7
_cell_angle_gamma   102.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaSn2Ge
_chemical_formula_sum   'Ga1 Sn2 Ge1'
_cell_volume   93.51
_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
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.54  0.93  0.69  1.0
  Sn  Sn3  1  0.54  0.07  0.69  1.0
  Ge  Ge1  1  0.34  0.0  0.0  1.0

data_GaSn2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   5.32
_cell_length_c   5.32
_cell_angle_alpha   102.07
_cell_angle_beta   92.7
_cell_angle_gamma   92.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaSn2Ge
_chemical_formula_sum   'Ga1 Sn2 Ge1'
_cell_volume   93.51
_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
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.69  0.54  0.07  1.0
  Sn  Sn2  1  0.69  0.54  0.93  1.0
  Ge  Ge3  1  0.0  0.34  0.0  1.0

Ga Sn Sn Ge
Ga Sn Sn Ge 0 3 o o o 1 2 o + o 1 3 o + + 2 3 o o + 