data_Ga3Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.89
_cell_length_b   5.89
_cell_length_c   5.89
_cell_angle_alpha   148.97
_cell_angle_beta   63.61
_cell_angle_gamma   125.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga3Sn
_chemical_formula_sum   'Ga3 Sn1'
_cell_volume   84.54
_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  0.55  0.67  1.0
  Ga  Ga1  1  0.58  0.46  1.0  1.0
  Ga  Ga2  1  0.0  0.0  0.45  1.0
  Sn  Sn3  1  0.58  0.0  0.79  1.0

data_Ga3Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   5.35
_cell_length_c   5.89
_cell_angle_alpha   117.0
_cell_angle_beta   105.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga3Sn
_chemical_formula_sum   'Ga3 Sn1'
_cell_volume   84.54
_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  0.55  0.55  1.0
  Ga  Ga1  1  0.55  0.87  0.87  1.0
  Ga  Ga2  1  0.88  0.46  0.89  1.0
  Sn  Sn3  1  0.42  0.21  0.63  1.0

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