data_Ga2SnAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22
_cell_length_b   4.15
_cell_length_c   6.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2SnAu
_chemical_formula_sum   'Ga2 Sn1 Au1'
_cell_volume   82.44
_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  Ga1  1  0.61  0.08  0.48  1.0
  Ga  Ga2  1  0.61  0.08  0.68  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.08  1.0

data_Ga2SnAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   4.15
_cell_length_c   6.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2SnAu
_chemical_formula_sum   'Ga2 Sn1 Au1'
_cell_volume   82.44
_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  0.61  0.08  0.48  1.0
  Ga  Ga1  1  0.61  0.08  0.68  1.0
  Sn  Sn2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.0  0.0  0.08  1.0

Ga Ga Sn Au
Ga Ga Sn Au 0 1 o o o 2 3 o o o 