data_Ga3Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   5.23
_cell_angle_alpha   101.72
_cell_angle_beta   101.72
_cell_angle_gamma   39.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga3Au
_chemical_formula_sum   'Ga3 Au1'
_cell_volume   73.8
_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
  Ga  Ga2  1  0.34  0.0  0.82  1.0
  Ga  Ga3  1  0.49  0.0  0.29  1.0
  Au  Au0  1  0.91  0.0  0.55  1.0

data_Ga3Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   4.76
_cell_length_c   5.23
_cell_angle_alpha   101.72
_cell_angle_beta   90.0
_cell_angle_gamma   109.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga3Au
_chemical_formula_sum   'Ga3 Au1'
_cell_volume   73.8
_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
  Ga  Ga1  1  0.0  0.51  0.71  1.0
  Ga  Ga2  1  0.0  0.66  0.18  1.0
  Au  Au3  1  0.0  0.09  0.45  1.0

Ga Ga Ga Au