data_GaFeAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   5.31
_cell_angle_alpha   144.91
_cell_angle_beta   129.48
_cell_angle_gamma   63.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaFeAu2
_chemical_formula_sum   'Ga1 Fe1 Au2'
_cell_volume   65.78
_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  Ga3  1  0.0  0.0  0.53  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.6  0.0  0.26  1.0
  Au  Au1  1  0.0  0.27  0.27  1.0

data_GaFeAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.53
_cell_length_c   5.31
_cell_angle_alpha   115.26
_cell_angle_beta   107.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaFeAu2
_chemical_formula_sum   'Ga1 Fe1 Au2'
_cell_volume   65.78
_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  0.53  0.53  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Au  Au2  1  0.0  0.26  0.66  1.0
  Au  Au3  1  0.73  1.0  1.0  1.0

Ga Fe Au Au