data_GaSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.5
_cell_length_b   5.31
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaSn
_chemical_formula_sum   'Ga2 Sn2'
_cell_volume   95.33
_cell_formula_units_Z   2
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  0.01  1.0
  Ga  Ga1  1  0.75  0.65  0.13  1.0
  Sn  Sn2  1  0.75  0.0  0.53  1.0
  Sn  Sn3  1  0.0  0.65  0.6  1.0

data_GaSn
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.5
_cell_length_b   5.14
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   GaSn
_chemical_formula_sum   'Ga2 Sn2'
_cell_volume   95.33
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.13  0.44  0.17  1.0
  Sn  Sn1  2  0.13  0.04  0.83  1.0

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