data_Ga2CoAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09
_cell_length_b   3.59
_cell_length_c   5.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2CoAu
_chemical_formula_sum   'Ga2 Co1 Au1'
_cell_volume   60.3
_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  Ga2  1  0.55  0.8  0.21  1.0
  Ga  Ga3  1  0.0  0.0  0.38  1.0
  Co  Co1  1  0.0  0.0  0.34  1.0
  Au  Au0  1  0.55  0.8  0.63  1.0

data_Ga2CoAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   3.59
_cell_length_c   5.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2CoAu
_chemical_formula_sum   'Ga2 Co1 Au1'
_cell_volume   60.3
_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  0.38  1.0
  Ga  Ga1  1  0.55  0.8  0.21  1.0
  Co  Co2  1  0.0  0.0  0.34  1.0
  Au  Au3  1  0.55  0.8  0.63  1.0

Ga Ga Co Au
Ga Ga Co Au 0 2 o + o 0 2 + + o 0 1 o + o 0 1 + + o 0 3 o o o 1 2 o o o 1 3 o - o 1 3 - - o 2 3 o - o 2 3 - - o 