data_GaCu2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   4.78
_cell_angle_alpha   133.85
_cell_angle_beta   132.4
_cell_angle_gamma   68.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaCu2Au
_chemical_formula_sum   'Ga1 Cu2 Au1'
_cell_volume   57.11
_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  0.93  1.0
  Cu  Cu1  1  0.0  0.0  0.02  1.0
  Cu  Cu2  1  0.87  0.0  1.0  1.0
  Au  Au0  1  0.0  0.93  0.96  1.0

data_GaCu2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.75
_cell_length_b   3.86
_cell_length_c   4.78
_cell_angle_alpha   113.8
_cell_angle_beta   113.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaCu2Au
_chemical_formula_sum   'Ga1 Cu2 Au1'
_cell_volume   57.11
_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  0.93  0.93  1.0
  Cu  Cu1  1  0.0  0.02  0.02  1.0
  Cu  Cu2  1  0.0  1.0  0.12  1.0
  Au  Au3  1  0.07  0.03  0.03  1.0

Ga Cu Cu Au