data_GaSn2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   6.27
_cell_angle_alpha   105.61
_cell_angle_beta   105.61
_cell_angle_gamma   49.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaSn2Au
_chemical_formula_sum   'Ga1 Sn2 Au1'
_cell_volume   95.68
_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  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.66  0.0  0.37  1.0
  Sn  Sn3  1  0.79  0.0  0.62  1.0
  Au  Au0  1  0.23  0.0  0.99  1.0

data_GaSn2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.85
_cell_length_b   4.58
_cell_length_c   6.27
_cell_angle_alpha   105.61
_cell_angle_beta   90.0
_cell_angle_gamma   114.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaSn2Au
_chemical_formula_sum   'Ga1 Sn2 Au1'
_cell_volume   95.68
_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  0.0  0.21  0.38  1.0
  Sn  Sn2  1  0.0  0.34  0.63  1.0
  Au  Au3  1  0.0  0.77  0.01  1.0

Ga Sn Sn Au