data_GaSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   5.59
_cell_angle_alpha   131.81
_cell_angle_beta   131.81
_cell_angle_gamma   70.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaSn
_chemical_formula_sum   'Ga2 Sn2'
_cell_volume   94.84
_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  0.28  0.28  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.28  0.0  0.28  1.0
  Sn  Sn3  1  0.0  0.0  0.56  1.0

data_GaSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   5.59
_cell_angle_alpha   114.1
_cell_angle_beta   114.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaSn
_chemical_formula_sum   'Ga2 Sn2'
_cell_volume   94.84
_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  0.0  1.0
  Ga  Ga1  1  1.0  0.28  1.0  1.0
  Sn  Sn2  1  0.28  1.0  1.0  1.0
  Sn  Sn3  1  0.56  0.56  0.56  1.0

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